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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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5-Fluoro-2-methylbenzamideCas Number: 175278-28-1 Compound CID: 2737374Formula: C8H8FNO Molecular Weight: 153.16IUPAC Name: 5-fluoro-2-methylbenzamideSMILES: CC1=C(C=C(C=C1)F)C(=O)NInChIKey: VPAFHFHYJHZKSR-UHFFFAOYSA-NInChI: InChI=1S/C8H8FNO/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H2,10,11) -
5-Cyano-2-fluorobenzoic acidCas Number: 146328-87-2 Compound CID: 2778462Formula: C8H4FNO2 Molecular Weight: 165.12IUPAC Name: 5-cyano-2-fluorobenzoic acidSMILES: C1=CC(=C(C=C1C#N)C(=O)O)FInChIKey: UQXVUTYCTZULCD-UHFFFAOYSA-NInChI: InChI=1S/C8H4FNO2/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-3H,(H,11,12)Synonyms: 3-Carboxy-4-fluorobenzonitrile -
5-((4-Chlorobenzamido)methyl)thiophene-2-sulfonyl chlorideCas Number: 166964-34-7 Compound CID: 2735713Formula: C12H9Cl2NO3S2 Molecular Weight: 350.2IUPAC Name: 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-sulfonyl chlorideSMILES: C1=CC(=CC=C1C(=O)NCC2=CC=C(S2)S(=O)(=O)Cl)ClInChIKey: HWAXMFYECKQLDX-UHFFFAOYSA-NInChI: InChI=1S/C12H9Cl2NO3S2/c13-9-3-1-8(2-4-9)12(16)15-7-10-5-6-11(19-10)20(14,17)18/h1-6H,7H2,(H,15,16)
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4，5-Dibromo-2-fluorobenzoic acidCas Number: 289039-48-1 Compound CID: 2773971Formula: C7H3Br2FO2 Molecular Weight: 297.9IUPAC Name: 4,5-dibromo-2-fluorobenzoic acidSMILES: C1=C(C(=CC(=C1Br)Br)F)C(=O)OInChIKey: WQYCLZJOUMEOCB-UHFFFAOYSA-NInChI: InChI=1S/C7H3Br2FO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,(H,11,12)
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4-Fluoro-N-(4H-1，2，4-triazol-4-yl)benzamideCas Number: 331434-05-0 Compound CID: 814674Formula: C9H7FN4O Molecular Weight: 206.18IUPAC Name: 4-fluoro-N-(1,2,4-triazol-4-yl)benzamideSMILES: C1=CC(=CC=C1C(=O)NN2C=NN=C2)FInChIKey: QNLTTXQVAMGCIV-UHFFFAOYSA-NInChI: InChI=1S/C9H7FN4O/c10-8-3-1-7(2-4-8)9(15)13-14-5-11-12-6-14/h1-6H,(H,13,15)
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4-Fluoro-N-methyl-3-nitrobenzamideCas Number: 475216-25-2 Compound CID: 21884186Formula: C8H7FN2O3 Molecular Weight: 198.15IUPAC Name: 4-fluoro-N-methyl-3-nitrobenzamideSMILES: CNC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]InChIKey: LTGYDUQSOZFFEM-UHFFFAOYSA-NInChI: InChI=1S/C8H7FN2O3/c1-10-8(12)5-2-3-6(9)7(4-5)11(13)14/h2-4H,1H3,(H,10,12)
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4-Fluoro-3-nitrobenzoyl chlorideCas Number: 400-94-2 Compound CID: 2783347Formula: C7H3ClFNO3 Molecular Weight: 203.55IUPAC Name: 4-fluoro-3-nitrobenzoyl chlorideSMILES: C1=CC(=C(C=C1C(=O)Cl)[N+](=O)[O-])FInChIKey: OJNVFOHHRJZBEG-UHFFFAOYSA-NInChI: InChI=1S/C7H3ClFNO3/c8-7(11)4-1-2-5(9)6(3-4)10(12)13/h1-3H
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4-Ethoxy-2，3-difluorobenzoic acidCas Number: 124728-45-6 Compound CID: 2769400Formula: C9H8F2O3 Molecular Weight: 202.16IUPAC Name: 4-ethoxy-2,3-difluorobenzoic acidSMILES: CCOC1=C(C(=C(C=C1)C(=O)O)F)FInChIKey: KMFHBAZUQFJVKK-UHFFFAOYSA-NInChI: InChI=1S/C9H8F2O3/c1-2-14-6-4-3-5(9(12)13)7(10)8(6)11/h3-4H,2H2,1H3,(H,12,13)
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4-Chlorophthalic acidCas Number: 89-20-3 Compound CID: 6964Formula: C8H5ClO4 Molecular Weight: 200.58IUPAC Name: 4-chlorophthalic acidSMILES: C1=CC(=C(C=C1Cl)C(=O)O)C(=O)OInChIKey: DVIPPHSQIBKWSA-UHFFFAOYSA-NInChI: InChI=1S/C8H5ClO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)
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4-Bromo-N-(pyridin-2-yl)benzamideCas Number: 14547-83-2 Compound CID: 838563Formula: C12H9BrN2O Molecular Weight: 277.12IUPAC Name: 4-bromo-N-pyridin-2-ylbenzamideSMILES: C1=CC=NC(=C1)NC(=O)C2=CC=C(C=C2)BrInChIKey: WEUQPFNDPPPKPJ-UHFFFAOYSA-NInChI: InChI=1S/C12H9BrN2O/c13-10-6-4-9(5-7-10)12(16)15-11-3-1-2-8-14-11/h1-8H,(H,14,15,16)
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4-Bromo-N-cyclopropylbenzamideCas Number: 306745-64-2 Compound CID: 882949Formula: C10H10BrNO Molecular Weight: 240.1IUPAC Name: 4-bromo-N-cyclopropylbenzamideSMILES: C1CC1NC(=O)C2=CC=C(C=C2)BrInChIKey: PTAOXRHPDPMIBL-UHFFFAOYSA-NInChI: InChI=1S/C10H10BrNO/c11-8-3-1-7(2-4-8)10(13)12-9-5-6-9/h1-4,9H,5-6H2,(H,12,13)
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4-Bromo-N-HydroxybenzamideIUPAC Name: 4-bromo-N-hydroxybenzamideSMILES: C1=CC(=CC=C1C(=O)NO)BrInChIKey: VESPFSJNQMGUCQ-UHFFFAOYSA-NInChI: InChI=1S/C7H6BrNO2/c8-6-3-1-5(2-4-6)7(10)9-11/h1-4,11H,(H,9,10)
