Halobenzoic acids and derivatives

Alfa Aesar™ 2,3,4,5-Tetrafluorobenzoyl chloride, 98%

CAS: 94695-48-4 Molecular Formula: C7HClF4O Molecular Weight (g/mol): 212.528 MDL Number: MFCD00075164 InChI Key: XWCKIXLTBNGIHV-UHFFFAOYSA-N Synonym: 2,3,4,5-tetrafluorobenzoylchloride, tetrafluorobenzoyl chloride, 2,3,4,5-tetrafluoro benzoyl chloride, benzoyl chloride, 2,3,4,5-tetrafluoro, 2,3,4,5-tetrafluorbenzoylchlorid, 2,3,4,5-tetrafluoro-benzoyl chloride, 2,3,4,5-tetrafluorobenzoic acid chloride, 2,3,4,5-tetrafluorobezoyl chloride, benzoyl chloride, 2,3,4,5-tetrafluoro-9ci, 2,3,4,5-tetrafluorobezoylchloride PubChem CID: 2733689 IUPAC Name: 2,3,4,5-tetrafluorobenzoyl chloride SMILES: C1=C(C(=C(C(=C1F)F)F)F)C(=O)Cl

Alfa Aesar™ 2-Chloro-N-methylbenzamide, 97%

CAS: 3400-31-5 Molecular Formula: C8H8ClNO Molecular Weight (g/mol): 169.608 MDL Number: MFCD00032667 InChI Key: ITXNDDPDABTCBO-UHFFFAOYSA-N Synonym: n-methyl-2-chlorobenzamide, 2-chloro-n-methyl-benzamide, benzamide, 2-chloro-n-methyl, n-methyl-o-chlorbenzamid, 2-chlorophenyl-n-methylcarboxamide PubChem CID: 347959 IUPAC Name: 2-chloro-N-methylbenzamide SMILES: CNC(=O)C1=CC=CC=C1Cl

Alfa Aesar™ 1-(2-Fluorobenzoyl)-4-methylpiperidine, 97%

CAS: 346719-56-0 Molecular Formula: C13H16FNO Molecular Weight (g/mol): 221.275 InChI Key: ZUOUPMRPDVWTSP-UHFFFAOYSA-N Synonym: 1-2-fluorobenzoyl-4-methylpiperidine, 2-fluorophenyl-4-methylpiperidin-1-yl methanone PubChem CID: 3572178 IUPAC Name: (2-fluorophenyl)-(4-methylpiperidin-1-yl)methanone SMILES: CC1CCN(CC1)C(=O)C2=CC=CC=C2F

Alfa Aesar™ 2-Chloro-4-nitrobenzoyl chloride, 98%

CAS: 7073-36-1 Molecular Formula: C7H3Cl2NO3 Molecular Weight (g/mol): 220.005 MDL Number: MFCD00051515 InChI Key: KTHNITVDTYAHFF-UHFFFAOYSA-N Synonym: benzoyl chloride, 2-chloro-4-nitro, benzoyl chloride,2-chloro-4-nitro, acmc-209ofu, 2-chloro-4-nitro-benzoyl chloride PubChem CID: 81522 IUPAC Name: 2-chloro-4-nitrobenzoyl chloride SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)Cl

Alfa Aesar™ 2,3-Difluoro-6-methoxybenzoic acid, 97%

CAS: 773873-26-0 Molecular Formula: C8H6F2O3 Molecular Weight (g/mol): 188.13 MDL Number: MFCD04116018 InChI Key: MMTKYWQMCSZCGW-UHFFFAOYSA-N Synonym: 2,3-difluoro-6-methoxy-benzoic acid, pubchem4940, 2,3-difluoro-6-methoxybenzoicacid, benzoic acid,2,3-difluoro-6-methoxy PubChem CID: 3861323 IUPAC Name: 2,3-difluoro-6-methoxybenzoic acid SMILES: COC1=C(C(=C(C=C1)F)F)C(=O)O

Alfa Aesar™ Methyl 3,5-dibromo-4-methylbenzoate, 98%

CAS: 74896-66-5 Molecular Formula: C9H8Br2O2 Molecular Weight (g/mol): 307.969 MDL Number: MFCD00010729 InChI Key: SRLAXDDPVYZYNI-UHFFFAOYSA-N Synonym: 3,5-dibromo-4-methylbenzoic acid methyl ester, methyl 3,5-dibromo-p-toluate, 3,5-dibromo-p-toluic acid methyl ester, pubchem4611, methyl3,5-dibromo-4-methylbenzoate, acmc-1bm25, zerenex e/9072914, methyl 3,5-dibromo-4-methyl-benzoate, methyl 3,5-bis bromanyl-4-methyl-benzoate, 2,6-dibromo-4-methoxycarbonyl toluene PubChem CID: 624016 IUPAC Name: methyl 3,5-dibromo-4-methylbenzoate SMILES: CC1=C(C=C(C=C1Br)C(=O)OC)Br

3-Bromobenzoic acid, 99%, ACROS Organics™

CAS: 585-76-2 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.02 MDL Number: MFCD00002487 InChI Key: VOIZNVUXCQLQHS-UHFFFAOYSA-N Synonym: m-bromobenzoic acid, 3-brombenzoic acid, benzoic acid, 3-bromo, 3-bromo-benzoic acid, benzoic acid, m-bromo, unii-7dct3a73lx, 7dct3a73lx, 3-bromo benzene acid, 3-bromobenzoicacid, 4-fluorobenzoicacid PubChem CID: 11456 IUPAC Name: 3-bromobenzoic acid SMILES: C1=CC(=CC(=C1)Br)C(=O)O

Alfa Aesar™ 5-Ethoxycarbonyl-2-fluorobenzeneboronic acid, 97%

CAS: 874219-60-0 Molecular Formula: C9H10BFO4 Molecular Weight (g/mol): 211.983 MDL Number: MFCD08235094 InChI Key: QXIIYFKTSGJTNE-UHFFFAOYSA-N Synonym: 5-ethoxycarbonyl-2-fluorophenyl boronic acid, 3-borono-4-fluorobenzoic acid ethyl ester, 5-ethoxycarbonyl-2-fluorobenzeneboronic acid, 2-fluoro-5-ethoxycarbonylphenylboronic acid, 5-ethoxycarbonyl-2-fluorophenylboronic acid, benzoic acid,3-borono-4-fluoro-, 1-ethyl ester 9ci, acmc-209qlk, 5-ethoxycarbonyl-2-fluorophenylboronic acid contains varying amounts of anhydride PubChem CID: 44717604 IUPAC Name: (5-ethoxycarbonyl-2-fluorophenyl)boronic acid SMILES: B(C1=C(C=CC(=C1)C(=O)OCC)F)(O)O

4-Fluorobenzoyl chloride, 98%, ACROS Organics™

CAS: 403-43-0 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.56 MDL Number: MFCD00000684 InChI Key: CZKLEJHVLCMVQR-UHFFFAOYSA-N Synonym: benzoyl chloride, 4-fluoro, p-fluorobenzoyl chloride, benzoyl chloride, p-fluoro, p-fluorobenzoic acid chloride, 4-fluorobenzoylchloride, fluorobenzoyl 4-chloride, 4-fluorobenzoic acid chloride, p-fluorobenzoylchloride, p-fluorobenzoyl choride, 4-flurobenzoyl chloride PubChem CID: 67879 IUPAC Name: 4-fluorobenzoyl chloride SMILES: C1=CC(=CC=C1C(=O)Cl)F

Alfa Aesar™ 2-Chloro-5-(2,3-dichlorophenylcarbamoyl)benzeneboronic acid, 97%

CAS: 1449144-73-3 Molecular Formula: C13H9BCl3NO3 Molecular Weight (g/mol): 344.379 MDL Number: MFCD27996215 InChI Key: JISRVYPGQJIELD-UHFFFAOYSA-N Synonym: 2-chloro-5-2,3-dichlorophenylcarbamoyl benzeneboronic acid, 2-chloro-5-2,3-dichlorophenyl carbamoyl phenylboronic acid, 2-chloro-5-2,3-dichlorophenylcarbamoyl phenylboronic acid PubChem CID: 73995881 IUPAC Name: [2-chloro-5-[(2,3-dichlorophenyl)carbamoyl]phenyl]boronic acid SMILES: B(C1=C(C=CC(=C1)C(=O)NC2=C(C(=CC=C2)Cl)Cl)Cl)(O)O

Alfa Aesar™ 4-Fluoro-2-(trifluoromethoxy)benzoyl chloride, 97%

CAS: 1323966-38-6 Molecular Formula: C8H3ClF4O2 Molecular Weight (g/mol): 242.554 MDL Number: MFCD19687189 InChI Key: RAPKOVZLHNOHEJ-UHFFFAOYSA-N Synonym: 4-fluoro-2-trifluoromethoxy benzoyl chloride PubChem CID: 66523624 IUPAC Name: 4-fluoro-2-(trifluoromethoxy)benzoyl chloride SMILES: C1=CC(=C(C=C1F)OC(F)(F)F)C(=O)Cl

Alfa Aesar™ 2-Bromo-3,4,5,6-tetrafluorobenzoyl chloride, 97%

CAS: 151096-42-3 Molecular Formula: C7BrClF4O Molecular Weight (g/mol): 291.424 MDL Number: MFCD03001174 InChI Key: FLVURBOAHUGHCH-UHFFFAOYSA-N Synonym: benzoyl chloride,2-bromo-3,4,5,6-tetrafluoro, 2-bromo-3,4,5,6-tetrafluorobenzoylchloride, acmc-1c3i6, 2-bromo-3,4,5,6-tetrafluoro-benzoyl chloride, 2-bromanyl-3,4,5,6-tetrakis fluoranyl benzoyl chloride PubChem CID: 2783243 IUPAC Name: 2-bromo-3,4,5,6-tetrafluorobenzoyl chloride SMILES: C1(=C(C(=C(C(=C1Br)F)F)F)F)C(=O)Cl

Alfa Aesar™ 3-Chloro-2-fluorobenzoic acid, 97%

CAS: 161957-55-7 Molecular Formula: C7H4ClFO2 Molecular Weight (g/mol): 174.555 MDL Number: MFCD00042506 InChI Key: FCSSYEWURMTUSM-UHFFFAOYSA-N Synonym: 2-fluoro-3-chlorobenzoic acid, 3-chloro-2-fluoro benzoic acid, 3-chloro-2-fluoro-benzoic acid, 3-chloro-2-fluorobenzoicacid, 3-chloro-2-fluorbenzoic acid, pubchem1332, acmc-209dnj, intermediates-zcf02219, benzoic acid, chlorofluoro, ksc112c3l PubChem CID: 302931 IUPAC Name: 3-chloro-2-fluorobenzoic acid SMILES: C1=CC(=C(C(=C1)Cl)F)C(=O)O

Alfa Aesar™ Methyl 2-amino-4,5-difluorobenzoate, 98%

CAS: 207346-42-7 Molecular Formula: C8H7F2NO2 Molecular Weight (g/mol): 187.146 MDL Number: MFCD09264511 InChI Key: VIAQNTRKUPBQKR-UHFFFAOYSA-N Synonym: 2-amino-4,5-difluorobenzoic acid methyl ester, benzoic acid, 2-amino-4,5-difluoro-, methyl ester, pubchem4676, acmc-209fdn, ksc496g7j, methyl 4,5-difluoroanthranilate, methyl2-amino-4,5-difluorobenzoate, methyl 2-amino-4,5-difluoro-benzoate, 2-amino-4,5-difluoro-benzoic acid methyl ester PubChem CID: 18472001 IUPAC Name: methyl 2-amino-4,5-difluorobenzoate SMILES: COC(=O)C1=CC(=C(C=C1N)F)F

Alfa Aesar™ Methyl 3-cyano-5-fluorobenzoate, 98%

CAS: 886732-29-2 Molecular Formula: C9H6FNO2 Molecular Weight (g/mol): 179.15 MDL Number: MFCD08688582 InChI Key: YZDWAFGKJVAXAM-UHFFFAOYSA-N Synonym: 3-cyano-5-fluorobenzoic acid methyl ester, benzoic acid, 3-cyano-5-fluoro-, methyl ester PubChem CID: 26597287 IUPAC Name: methyl 3-cyano-5-fluorobenzoate SMILES: COC(=O)C1=CC(=CC(=C1)C#N)F

Alfa Aesar™ Methyl 4-iodobenzoate, 98%

CAS: 619-44-3 Molecular Formula: C8H7IO2 Molecular Weight (g/mol): 262.046 MDL Number: MFCD00016353 InChI Key: DYUWQWMXZHDZOR-UHFFFAOYSA-N Synonym: methyl p-iodobenzoate, 4-iodobenzoic acid methyl ester, benzoic acid, 4-iodo-, methyl ester, 4-iodo-benzoic acid methyl ester, benzoic acid, p-iodo-, methyl ester, methyl-4-iodobenzoate, methyl 4-iodo-benzoate, methyl-4-iodo-benzoate, pubchem20378, methyl para-iodobenzoate PubChem CID: 69273 IUPAC Name: methyl 4-iodobenzoate SMILES: COC(=O)C1=CC=C(C=C1)I

Alfa Aesar™ Diatrizoic acid

CAS: 117-96-4 Molecular Formula: C11H9I3N2O4 Molecular Weight (g/mol): 613.916 MDL Number: MFCD00069960 InChI Key: YVPYQUNUQOZFHG-UHFFFAOYSA-N Synonym: diatrizoic acid, amidotrizoic acid, diatrizoate, amidotrizoate, urogranoic acid, urografin acid, odiston, urotrast, diat, diatriazoate PubChem CID: 2140 ChEBI: CHEBI:53691 IUPAC Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I

Alfa Aesar™ 3-Bromo-5-fluorobenzamide, 96%

CAS: 933585-20-7 Molecular Formula: C7H5BrFNO Molecular Weight (g/mol): 218.025 MDL Number: MFCD07780673 InChI Key: CFWMRENFPXKUBG-UHFFFAOYSA-N PubChem CID: 43248499 IUPAC Name: 3-bromo-5-fluorobenzamide SMILES: C1=C(C=C(C=C1F)Br)C(=O)N

Alfa Aesar™ 4-Ethoxy-2,3-difluorobenzoyl chloride, 97%

CAS: 761459-04-5 Molecular Formula: C9H7ClF2O2 Molecular Weight (g/mol): 220.6 MDL Number: MFCD09258701 InChI Key: BTIZLROTPPAIEJ-UHFFFAOYSA-N Synonym: 4-ethoxy-2,3-difluorobenzoyl chloride, jrd PubChem CID: 19763022 IUPAC Name: 4-ethoxy-2,3-difluorobenzoyl chloride SMILES: CCOC1=C(C(=C(C=C1)C(=O)Cl)F)F

Alfa Aesar™ N,N-Dimethyl-4-fluorobenzamide, 97%

CAS: 24167-56-4 Molecular Formula: C9H10FNO Molecular Weight (g/mol): 167.183 MDL Number: MFCD01214152 InChI Key: NUOGEPIJFRZXIN-UHFFFAOYSA-N Synonym: n,n-dimethyl 4-fluorobenzamide, n,n-dimethyl p-fluorobenzamide, n,n-dimethyl-4-fluorobenzamide, acmc-1chi9, benzamide,4-fluoro-n,n-dimethyl, benzamide, 4-fluoro-n,n-dimethyl PubChem CID: 141077 IUPAC Name: 4-fluoro-N,N-dimethylbenzamide SMILES: CN(C)C(=O)C1=CC=C(C=C1)F

Alfa Aesar™ 3,5-Dibromobenzamide, 97%

CAS: 175205-85-3 Molecular Formula: C7H5Br2NO Molecular Weight (g/mol): 278.931 MDL Number: MFCD00178771 InChI Key: IOFGMNBDIDEBIQ-UHFFFAOYSA-N Synonym: 3,5-dibromo-benzoic acid amide, acmc-20andi, 3,5-dibromo-benzamide, maybridge1_007750, 3,5-bis bromanyl benzamide, 3,5-dibromobenzamide PubChem CID: 2735937 IUPAC Name: 3,5-dibromobenzamide SMILES: C1=C(C=C(C=C1Br)Br)C(=O)N

Alfa Aesar™ 3-Fluorophthalic acid, 97%

CAS: 1583-67-1 Molecular Formula: C8H5FO4 Molecular Weight (g/mol): 184.122 MDL Number: MFCD00039524 InChI Key: BBCQSMSCEJBIRD-UHFFFAOYSA-N Synonym: 3-fluorobenzene-1,2-dicarboxylic acid, 3-fluoro-1,2-benzenedicarboxylic acid, 1,2-benzenedicarboxylic acid, 3-fluoro, 1,2-benzenedicarboxylic acid, fluoro, 3-fluorophthalic, 3-fluorophtalic acid, 3-fluorophthatic acid, pubchem1405, 3-fluorophthalicacid PubChem CID: 345381 IUPAC Name: 3-fluorophthalic acid SMILES: C1=CC(=C(C(=C1)F)C(=O)O)C(=O)O

Alfa Aesar™ 2-Fluoro-4-(methoxycarbonyl)benzeneboronic acid, 98%

CAS: 603122-84-5 Molecular Formula: C8H8BFO4 Molecular Weight (g/mol): 197.956 MDL Number: MFCD08436034 InChI Key: BKWRLCIYMAYFPA-UHFFFAOYSA-N Synonym: 2-fluoro-4-methoxycarbonyl phenylboronic acid, 2-fluoro-4-methoxycarbonyl benzeneboronic acid, 4-methoxycarbonyl-2-fluorophenylboronic acid, 2-fluoro-4-methoxycarbonyl phenyl boronic acid, o-fluoro p-methoxy carbonyl phenyl boronic acid, pubchem17434, acmc-209mj4, 2-fluoro-4-methoxycarbonyl phenylboronicacid, 2-fluoro-4-methoxycarbonyl-phenylboronic acid PubChem CID: 24824345 IUPAC Name: (2-fluoro-4-methoxycarbonylphenyl)boronic acid SMILES: B(C1=C(C=C(C=C1)C(=O)OC)F)(O)O

Alfa Aesar™ Ethyl 3-bromobenzoate, 98+%

CAS: 24398-88-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00013529 InChI Key: QAUASTLEZAPQTB-UHFFFAOYSA-N Synonym: ethyl3-bromobenzoate, 3-bromobenzoic acid ethyl ester, benzoic acid, 3-bromo-, ethyl ester, ethyl-3-bromobenzoate, benzoic acid, m-bromo-, ethyl ester, m-bromo benzoic acid ethyl ester, m-bromobenzoic acid, ethyl ester, pubchem3941, acmc-209gbv, ethyl 3-bromobenzoate PubChem CID: 90488 IUPAC Name: ethyl 3-bromobenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)Br

Alfa Aesar™ 2-Fluoro-5-(trifluoromethoxy)benzoic acid, 97%

CAS: 886497-85-4 Molecular Formula: C8H4F4O3 Molecular Weight (g/mol): 224.111 MDL Number: MFCD04115887 InChI Key: CSMVUVGPLMTFIZ-UHFFFAOYSA-N Synonym: 2-fluoro-5-trifluoromethoxy benzoic acid, pubchem4757, 2-fluoro-5-trifluoromethoxy-benzoic acid, benzoic acid,2-fluoro-5-trifluoromethoxy, 2-fluoro-5-trifluoromethoxy benzoicacid PubChem CID: 3852520 IUPAC Name: 2-fluoro-5-(trifluoromethoxy)benzoic acid SMILES: C1=CC(=C(C=C1OC(F)(F)F)C(=O)O)F

Alfa Aesar™ 3-Chloro-4-(1-piperidinylcarbonyl)benzeneboronic acid, 98%

CAS: 850589-50-3 Molecular Formula: C12H15BClNO3 Molecular Weight (g/mol): 267.516 MDL Number: MFCD07363775 InChI Key: AQTGPCIHLDJZJF-UHFFFAOYSA-N Synonym: 3-chloro-4-piperidine-1-carbonyl phenylboronic acid, 3-chloro-4-piperidine-1-carbonyl phenyl boronic acid, 3-chloro-4-piperidin-1-ylcarbonyl benzeneboronic acid, boronic acid,b-3-chloro-4-1-piperidinylcarbonyl phenyl, 1-4-borono-2-chlorobenzoyl piperidine, n-piperidinyl 2-chloro-4-boronobenzamide, 4-borono-2-chlorophenyl piperidin-1-yl methanone, 3-chloro-4-1-piperidinylcarbonyl benzeneboronic acid, b-3-chloro-4-1-piperidinylcarbonyl phenyl-boronic acid PubChem CID: 44119648 IUPAC Name: [3-chloro-4-(piperidine-1-carbonyl)phenyl]boronic acid SMILES: B(C1=CC(=C(C=C1)C(=O)N2CCCCC2)Cl)(O)O

Alfa Aesar™ 2,3-Difluoro-4-methylbenzoyl chloride, 97%

CAS: 261763-38-6 Molecular Formula: C8H5ClF2O Molecular Weight (g/mol): 190.574 MDL Number: MFCD01631645 InChI Key: IHRMSSGDXMQPBA-UHFFFAOYSA-N Synonym: 2,3-difluoro-4-methyl-benzoyl chloride, acmc-20aogw, 2,3-difluoro-p-toluoyl chloride, 2,3-difluoro-4-methylbenzoylchloride, benzoyl chloride,2,3-difluoro-4-methyl, benzoyl chloride, 2,3-difluoro-4-methyl, 2,3-bis fluoranyl-4-methyl-benzoyl chloride, 2,3-difluoro-4-methylbenzoyl chloride, benzoyl chloride, 2,3-difluoro-4-methyl-9ci PubChem CID: 2774144 IUPAC Name: 2,3-difluoro-4-methylbenzoyl chloride SMILES: CC1=C(C(=C(C=C1)C(=O)Cl)F)F

Alfa Aesar™ 4-Fluoro-2-methoxybenzoic acid, 99%

CAS: 395-82-4 Molecular Formula: C8H7FO3 Molecular Weight (g/mol): 170.139 MDL Number: MFCD00673010 InChI Key: UUQDNAPKWPKHMK-UHFFFAOYSA-N Synonym: 2-methoxy-4-fluorobenzoic acid, 4-fluoro-2-methoxy-benzoic acid, 4-fluoro-o-anisic acid, benzoic acid, 4-fluoro-2-methoxy, pubchem4969, acmc-209j6b, ksc494s1h, 4-fluoro-2-methoxybenzoicacid, rarechem al be 1023, 4-fluoro-2-methoxy benzoic acid PubChem CID: 2774545 IUPAC Name: 4-fluoro-2-methoxybenzoic acid SMILES: COC1=C(C=CC(=C1)F)C(=O)O

Alfa Aesar™ 4-Bromo-2-methylbenzoic acid, 98+%

CAS: 68837-59-2 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00040905 InChI Key: RVCJOGNLYVNRDN-UHFFFAOYSA-N Synonym: 2-methyl-4-bromobenzoic acid, 4-bromo-o-toluic acid, 4-bromo-2-methyl-benzoic acid, benzoic acid, 4-bromo-2-methyl, synquest 2721-9-x6, 4-bromo-2-methylbenz, 4-bromo-2-methylbenzoicacid, pubchem4029, 5-bromo-2-carboxytoluene, acmc-1baz5 PubChem CID: 99570 IUPAC Name: 4-bromo-2-methylbenzoic acid SMILES: CC1=C(C=CC(=C1)Br)C(=O)O

Alfa Aesar™ 2-Bromo-5-iodobenzoic acid, 97%

CAS: 25252-00-0 Molecular Formula: C7H4BrIO2 Molecular Weight (g/mol): 326.915 MDL Number: MFCD00079716 InChI Key: QPKKBDSNZFSSOD-UHFFFAOYSA-N Synonym: 2-bromo-5-iodobenzoicacid, 2-bromo-5-iodo-benzoic acid, benzoic acid, 2-bromo-5-iodo, pubchem3787, acmc-209gii, intermediates-zcf02680, ksc497i9t, zerenex e/9071914, 2-bromo-5-iodobenzoic acid PubChem CID: 2735572 IUPAC Name: 2-bromo-5-iodobenzoic acid SMILES: C1=CC(=C(C=C1I)C(=O)O)Br

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