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Halobenzoic acids and derivatives
Description:
Benzoic acids or derivatives carrying a halogen atom on the benzene ring.
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(2-Fluoro-5-(isopropylcarbamoyl)phenyl)boronic acidCas Number: 874289-49-3 Compound CID: 44717605Formula: C10H13BFNO3 Molecular Weight: 225.03IUPAC Name: [2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]boronic acidSMILES: B(C1=C(C=CC(=C1)C(=O)NC(C)C)F)(O)OInChIKey: NCRUGKRIPMSQHI-UHFFFAOYSA-NInChI: InChI=1S/C10H13BFNO3/c1-6(2)13-10(14)7-3-4-9(12)8(5-7)11(15)16/h3-6,15-16H,1-2H3,(H,13,14) -
5-Chloro-2-methoxybenzoyl chlorideCas Number: 29568-33-0 Compound CID: 12384176Formula: C8H6Cl2O2 Molecular Weight: 205.03IUPAC Name: 5-chloro-2-methoxybenzoyl chlorideSMILES: COC1=C(C=C(C=C1)Cl)C(=O)ClInChIKey: JVLUMHRASWENRU-UHFFFAOYSA-NInChI: InChI=1S/C8H6Cl2O2/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3
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5-Chloro-2-Fluoro-4-Methylbenzoic AcidCas Number: 1263274-67-4 Compound CID: 58042446Formula: C8H6O2FCl Molecular Weight: 188.58IUPAC Name: 5-chloro-2-fluoro-4-methylbenzoic acidSMILES: CC1=CC(=C(C=C1Cl)C(=O)O)FInChIKey: YNXLNFQOANWRQC-UHFFFAOYSA-NInChI: InChI=1S/C8H6ClFO2/c1-4-2-7(10)5(8(11)12)3-6(4)9/h2-3H,1H3,(H,11,12)
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5-CHLORO-1，3-BENZODIOXOLE-4-CARBOXYLIC ACIDCas Number: 379229-83-1 Compound CID: 7472060Formula: C8H5ClO4 Molecular Weight: 200.57IUPAC Name: 5-chloro-1,3-benzodioxole-4-carboxylic acidSMILES: C1OC2=C(O1)C(=C(C=C2)Cl)C(=O)OInChIKey: FBHDXAHJCOXCOF-UHFFFAOYSA-NInChI: InChI=1S/C8H5ClO4/c9-4-1-2-5-7(13-3-12-5)6(4)8(10)11/h1-2H,3H2,(H,10,11)
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5-Bromo-2-methoxybenzamideCas Number: 303111-31-1 Compound CID: 17094957Formula: C8H8BrNO2 Molecular Weight: 230.06IUPAC Name: 5-bromo-2-methoxybenzamideSMILES: COC1=C(C=C(C=C1)Br)C(=O)NInChIKey: VWRKGVNZHGRWSV-UHFFFAOYSA-NInChI: InChI=1S/C8H8BrNO2/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H2,10,11)
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5-Bromo-2-chlorobenzamideCas Number: 188774-55-2 Compound CID: 25239818Formula: C7H5BrClNO Molecular Weight: 234.48IUPAC Name: 5-bromo-2-chlorobenzamideSMILES: C1=CC(=C(C=C1Br)C(=O)N)ClInChIKey: UZELTISECDSPNW-UHFFFAOYSA-NInChI: InChI=1S/C7H5BrClNO/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H2,10,11)
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5-Bromo-2-ethylbenzoic acidCas Number: 439937-55-0 Compound CID: 44597228Formula: C9H9BrO2 Molecular Weight: 229.07IUPAC Name: 5-bromo-2-ethylbenzoic acidSMILES: CCC1=C(C=C(C=C1)Br)C(=O)OInChIKey: RJJFAACSONNSDX-UHFFFAOYSA-NInChI: InChI=1S/C9H9BrO2/c1-2-6-3-4-7(10)5-8(6)9(11)12/h3-5H,2H2,1H3,(H,11,12)
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5-Bromo-2-(carboxymethyl)benzoic acidCas Number: 19725-82-7 Compound CID: 10634987Formula: C9H7BrO4 Molecular Weight: 259.05IUPAC Name: 5-bromo-2-(carboxymethyl)benzoic acidSMILES: C1=CC(=C(C=C1Br)C(=O)O)CC(=O)OInChIKey: VFYONOBJKYTLNC-UHFFFAOYSA-NInChI: InChI=1S/C9H7BrO4/c10-6-2-1-5(3-8(11)12)7(4-6)9(13)14/h1-2,4H,3H2,(H,11,12)(H,13,14)
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5-Bromo-2,3,4-trifluorobenzoic acidCas Number: 212631-85-1 Compound CID: 11118637Formula: C7H2BrF3O2 Molecular Weight: 254.99IUPAC Name: 5-bromo-2,3,4-trifluorobenzoic acidSMILES: C1=C(C(=C(C(=C1Br)F)F)F)C(=O)OInChIKey: XQIATTAAVBLNAN-UHFFFAOYSA-NInChI: InChI=1S/C7H2BrF3O2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H,12,13)
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4，5-Dibromophthalic acidCas Number: 24063-28-3 Compound CID: 12658458Formula: C8H4Br2O4 Molecular Weight: 323.94IUPAC Name: 4,5-dibromophthalic acidSMILES: C1=C(C(=CC(=C1Br)Br)C(=O)O)C(=O)OInChIKey: ZIRYHOLKTROMQO-UHFFFAOYSA-NInChI: InChI=1S/C8H4Br2O4/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h1-2H,(H,11,12)(H,13,14)
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4-Iodo-3，5-dimethylbenzamideCas Number: 1206679-91-5 Compound CID: 44228953Formula: C9H10INOIUPAC Name: 4-iodo-3,5-dimethylbenzamideSMILES: CC1=CC(=CC(=C1I)C)C(=O)NInChIKey: RQIWKKGHFRYGBC-UHFFFAOYSA-NInChI: InChI=1S/C9H10INO/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4H,1-2H3,(H2,11,12)
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4-Chloro-N-cyclopropyl-3-nitrobenzamideCas Number: 90797-58-3 Compound CID: 881839Formula: C10H9ClN2O3 Molecular Weight: 240.64IUPAC Name: 4-chloro-N-cyclopropyl-3-nitrobenzamideSMILES: C1CC1NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]InChIKey: ZUWRELJOMFUPGP-UHFFFAOYSA-NInChI: InChI=1S/C10H9ClN2O3/c11-8-4-1-6(5-9(8)13(15)16)10(14)12-7-2-3-7/h1,4-5,7H,2-3H2,(H,12,14)
