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2-halobenzoic acids and derivatives
Description:
Benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
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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 -
(4-(Cyclohexylcarbamoyl)-3-fluorophenyl)boronic acidCas Number: 874289-11-9 Compound CID: 44717481Formula: C13H17BFNO3 Molecular Weight: 265.09IUPAC Name: [4-(cyclohexylcarbamoyl)-3-fluorophenyl]boronic acidSMILES: B(C1=CC(=C(C=C1)C(=O)NC2CCCCC2)F)(O)OInChIKey: GUPNXIZRUYJZEV-UHFFFAOYSA-NInChI: InChI=1S/C13H17BFNO3/c15-12-8-9(14(18)19)6-7-11(12)13(17)16-10-4-2-1-3-5-10/h6-8,10,18-19H,1-5H2,(H,16,17)
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2-Chloro-4-hydroxybenzamideCas Number: 1046818-83-0 Compound CID: 18474263Formula: C7H6ClNO2 Molecular Weight: 171.58IUPAC Name: 2-chloro-4-hydroxybenzamideSMILES: C1=CC(=C(C=C1O)Cl)C(=O)NInChIKey: YXGBFUHYIISYSS-UHFFFAOYSA-NInChI: InChI=1S/C7H6ClNO2/c8-6-3-4(10)1-2-5(6)7(9)11/h1-3,10H,(H2,9,11)
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Methyl 5-bromo-1H-indazole-4-carboxylateCas Number: 1037840-79-1 Compound CID: 59145907Formula: C9H7N2O2Br Molecular Weight: 255.06IUPAC Name: methyl 5-bromo-1H-indazole-4-carboxylateSMILES: COC(=O)C1=C(C=CC2=C1C=NN2)BrInChIKey: ZVKNYIAOEMIAKP-UHFFFAOYSA-NInChI: InChI=1S/C9H7BrN2O2/c1-14-9(13)8-5-4-11-12-7(5)3-2-6(8)10/h2-4H,1H3,(H,11,12)
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3-Fluoro-4-(pyrrolidine-1-carbonyl)phenylboronic acidCas Number: 874289-09-5 Compound CID: 44717469Formula: C11H13BFNO3 Molecular Weight: 237.04IUPAC Name: [3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]boronic acidSMILES: B(C1=CC(=C(C=C1)C(=O)N2CCCC2)F)(O)OInChIKey: CAXRHKUORHQHNG-UHFFFAOYSA-NInChI: InChI=1S/C11H13BFNO3/c13-10-7-8(12(16)17)3-4-9(10)11(15)14-5-1-2-6-14/h3-4,7,16-17H,1-2,5-6H2
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2,6-Difluoro-3-hydroxybenzamideCas Number: 951122-37-5 Compound CID: 45120136Formula: C7H5F2NO2 Molecular Weight: 173.12IUPAC Name: 2,6-difluoro-3-hydroxybenzamideSMILES: C1=CC(=C(C(=C1O)F)C(=O)N)FInChIKey: ZZNIADKIUCGMNN-UHFFFAOYSA-NInChI: InChI=1S/C7H5F2NO2/c8-3-1-2-4(11)6(9)5(3)7(10)12/h1-2,11H,(H2,10,12)
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2，6-DIFLUORO-3-METHOXYBENZAMIDECas Number: 886498-26-6 Compound CID: 3544383Formula: C8H7F2NO2 Molecular Weight: 187.14IUPAC Name: 2,6-difluoro-3-methoxybenzamideSMILES: COC1=C(C(=C(C=C1)F)C(=O)N)FInChIKey: JWQAQJXFEPQZIV-UHFFFAOYSA-NInChI: InChI=1S/C8H7F2NO2/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3H,1H3,(H2,11,12)
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2-Fluoro-N-methoxy-N-methylbenzamideFormula: C9H10FNO2 Molecular Weight: 183.18IUPAC Name: 2-fluoro-N-methoxy-N-methylbenzamideSMILES: CN(C(=O)C1=CC=CC=C1F)OCInChIKey: WWEPCBKULBKDCS-UHFFFAOYSA-NInChI: InChI=1S/C9H10FNO2/c1-11(13-2)9(12)7-5-3-4-6-8(7)10/h3-6H,1-2H3
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2-Fluoro-N-methyl-4-nitrobenzamideCas Number: 915087-24-0 Compound CID: 53440632Formula: C8H7FN2O3 Molecular Weight: 198.15IUPAC Name: 2-fluoro-N-methyl-4-nitrobenzamideSMILES: CNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])FInChIKey: CWGRZEVFBBAKCD-UHFFFAOYSA-NInChI: InChI=1S/C8H7FN2O3/c1-10-8(12)6-3-2-5(11(13)14)4-7(6)9/h2-4H,1H3,(H,10,12)
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2-Chloro-N-methoxy-N-methylbenzamideCas Number: 289686-74-4 Compound CID: 18185370Formula: C9H10ClNO2 Molecular Weight: 199.63IUPAC Name: 2-chloro-N-methoxy-N-methylbenzamideSMILES: CN(C(=O)C1=CC=CC=C1Cl)OCInChIKey: ZBRUSXSYQDZHQM-UHFFFAOYSA-NInChI: InChI=1S/C9H10ClNO2/c1-11(13-2)9(12)7-5-3-4-6-8(7)10/h3-6H,1-2H3
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2-Chloro-4-NitrobenzohydrazideCas Number: 67345-78-2 Compound CID: 3685650Formula: C7H6ClN3O3 Molecular Weight: 215.6IUPAC Name: 2-chloro-4-nitrobenzohydrazideSMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)NNInChIKey: XLDHQBNLMQYVBC-UHFFFAOYSA-NInChI: InChI=1S/C7H6ClN3O3/c8-6-3-4(11(13)14)1-2-5(6)7(12)10-9/h1-3H,9H2,(H,10,12)
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2-Bromobenzoyl ChlorideCas Number: 7154-66-7Formula: C7H4BrClO Molecular Weight: 219.46IUPAC Name: 2-bromobenzoyl chlorideSMILES: C1=CC=C(C(=C1)C(=O)Cl)BrInChIKey: NZCKTGCKFJDGFD-UHFFFAOYSA-NInChI: InChI=1S/C7H4BrClO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H
