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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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2，4，6-triiodobenzene-1，3，5-tricarboxylic acidCas Number: 79211-41-9 Compound CID: 133178Formula: C9H3I3O6 Molecular Weight: 587.83IUPAC Name: 2,4,6-triiodobenzene-1,3,5-tricarboxylic acidSMILES: C1(=C(C(=C(C(=C1I)C(=O)O)I)C(=O)O)I)C(=O)OInChIKey: YLJAKJSGUDBOHG-UHFFFAOYSA-NInChI: InChI=1S/C9H3I3O6/c10-4-1(7(13)14)5(11)3(9(17)18)6(12)2(4)8(15)16/h(H,13,14)(H,15,16)(H,17,18) -
2，4-DibromobenzamideCas Number: 874522-46-0 Compound CID: 92045730Formula: C7H5Br2NO Molecular Weight: 278.93IUPAC Name: 2,4-dibromobenzamideSMILES: C1=CC(=C(C=C1Br)Br)C(=O)NInChIKey: RYCQHJGPQUMDLI-UHFFFAOYSA-NInChI: InChI=1S/C7H5Br2NO/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H2,10,11)
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2-Chloro-4-(methylsulfonyl)benzoyl chlorideCas Number: 106904-10-3Formula: C8H6Cl2O3S Molecular Weight: 253.10SMILES: CS(=O)(=O)C1=CC(=C(C=C1)C(=O)Cl)ClInChIKey: CLCPHXRHYYEUME-UHFFFAOYSA-NInChI: InChI=1S/C8H6Cl2O3S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3
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SaflufenacilCas Number: 372137-35-4Formula: C17H17ClF4N4O5S Molecular Weight: 500.85SMILES: CC(C)N(C)S(=O)(=O)NC(=O)C1=CC(=C(C=C1Cl)F)N2C(=O)C=C(N(C2=O)C)C(F)(F)FInChIKey: GNHDVXLWBQYPJE-UHFFFAOYSA-NInChI: InChI=1S/C17H17ClF4N4O5S/c1-8(2)25(4)32(30,31)23-15(28)9-5-12(11(19)6-10(9)18)26-14(27)7-13(17(20,21)22)24(3)16(26)29/h5-8H,1-4H3,(H,23,28)
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Benzoyl chloride， 4-chloro-2-methoxy-Cas Number: 5607-64-7Formula: C8H6Cl2O2 Molecular Weight: 205.038SMILES: COC1=C(C=CC(=C1)Cl)C(=O)ClInChIKey: OKEFBVALFLRAFV-UHFFFAOYSA-NInChI: InChI=1S/C8H6Cl2O2/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,1H3
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6-Benzothiazolecarboxylic acid， 2-aMino-4-fluoro-， Methyl esterCas Number: 924287-64-9Formula: C9H7FN2O2S Molecular Weight: 226.2275SMILES: COC(=O)C1=CC(=C2C(=C1)SC(=N2)N)FInChIKey: UNJLICBWHHMOFV-UHFFFAOYSA-NInChI: InChI=1S/C9H7FN2O2S/c1-14-8(13)4-2-5(10)7-6(3-4)15-9(11)12-7/h2-3H,1H3,(H2,11,12)
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6-Bromo-2，3，4-trifluorobenzoic acidFormula: C7H2BrF3O2 Molecular Weight: 254.99IUPAC Name: 6-bromo-2,3,4-trifluorobenzoic acidSMILES: C1=C(C(=C(C(=C1Br)C(=O)O)F)F)FInChIKey: QCQROIXPDIHMBR-UHFFFAOYSA-NInChI: InChI=1S/C7H2BrF3O2/c8-2-1-3(9)5(10)6(11)4(2)7(12)13/h1H,(H,12,13)
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5-Fluoro-2-Nitrobenzoyl chlorideCas Number: 394-02-5 Compound CID: 15654868Formula: C7H3ClFNO3 Molecular Weight: 203.55IUPAC Name: 5-fluoro-2-nitrobenzoyl chlorideSMILES: C1=CC(=C(C=C1F)C(=O)Cl)[N+](=O)[O-]InChIKey: DHNJQRSDZABGBP-UHFFFAOYSA-NInChI: InChI=1S/C7H3ClFNO3/c8-7(11)5-3-4(9)1-2-6(5)10(12)13/h1-3H
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4-Chloro-N，N-diethylbenzamideCas Number: 7461-38-3Formula: C11H14ClNO Molecular Weight: 211.69SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)ClInChIKey: VQIFBGNOSBKNJI-UHFFFAOYSA-NInChI: InChI=1S/C11H14ClNO/c1-3-13(4-2)11(14)9-5-7-10(12)8-6-9/h5-8H,3-4H2,1-2H3
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4-Bromo-3-isopropylbenzoic acidCas Number: 741698-94-2 Compound CID: 23090772Formula: C10H11BrO2 Molecular Weight: 243.1IUPAC Name: 4-bromo-3-propan-2-ylbenzoic acidSMILES: CC(C)C1=C(C=CC(=C1)C(=O)O)BrInChIKey: AVLGNLUCRVKPGU-UHFFFAOYSA-NInChI: InChI=1S/C10H11BrO2/c1-6(2)8-5-7(10(12)13)3-4-9(8)11/h3-6H,1-2H3,(H,12,13)
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3-Bromo-5-(Trifluoromethoxy)benzoyl chlorideCas Number: 1092461-36-3 Compound CID: 54772359Formula: C8H3BrClF3O2 Molecular Weight: 303.46IUPAC Name: 3-bromo-5-(trifluoromethoxy)benzoyl chlorideSMILES: C1=C(C=C(C=C1OC(F)(F)F)Br)C(=O)ClInChIKey: PRRWHYQCMQADHB-UHFFFAOYSA-NInChI: InChI=1S/C8H3BrClF3O2/c9-5-1-4(7(10)14)2-6(3-5)15-8(11,12)13/h1-3H
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2-iodo-4，5-dimethylbenzoic acidCas Number: 35149-23-6 Compound CID: 21823568Formula: C9H9IO2 Molecular Weight: 276.07IUPAC Name: 2-iodo-4,5-dimethylbenzoic acidSMILES: CC1=CC(=C(C=C1C)I)C(=O)OInChIKey: UJPYLBURWVNVJI-UHFFFAOYSA-NInChI: InChI=1S/C9H9IO2/c1-5-3-7(9(11)12)8(10)4-6(5)2/h3-4H,1-2H3,(H,11,12)
