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4-halobenzoic acids and derivatives
Description:
Benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
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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) -
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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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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2，4-Difluoro-N-methoxy-N-methylbenzamideCas Number: 198967-25-8 Compound CID: 18357704IUPAC Name: 2,4-difluoro-N-methoxy-N-methylbenzamideSMILES: CN(C(=O)C1=C(C=C(C=C1)F)F)OCInChIKey: UTSSEXHZQHZWED-UHFFFAOYSA-NInChI: InChI=1S/C9H9F2NO2/c1-12(14-2)9(13)7-4-3-6(10)5-8(7)11/h3-5H,1-2H3
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2-Bromo-4-chlorobenzamideCas Number: 131002-01-2 Compound CID: 15111014Formula: C7H5BrClNO Molecular Weight: 234.48IUPAC Name: 2-bromo-4-chlorobenzamideSMILES: C1=CC(=C(C=C1Cl)Br)C(=O)NInChIKey: HAVNOBBLFYXBDL-UHFFFAOYSA-NInChI: InChI=1S/C7H5BrClNO/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H2,10,11)
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2-Bromo-4-fluoro-N-methylbenzamideCas Number: 923138-87-8 Compound CID: 17403024Formula: C8H7BrFNO Molecular Weight: 232.05IUPAC Name: 2-bromo-4-fluoro-N-methylbenzamideSMILES: CNC(=O)C1=C(C=C(C=C1)F)BrInChIKey: FLTQCBCOHJWXTO-UHFFFAOYSA-NInChI: InChI=1S/C8H7BrFNO/c1-11-8(12)6-3-2-5(10)4-7(6)9/h2-4H,1H3,(H,11,12)
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1-(4-bromobenzoyl)-4-methylpiperazineCas Number: 349395-87-5 Compound CID: 4464352Formula: C12H15BrN2O Molecular Weight: 283.169IUPAC Name: (4-bromophenyl)-(4-methylpiperazin-1-yl)methanoneSMILES: CN1CCN(CC1)C(=O)C2=CC=C(C=C2)BrInChIKey: JNOKTDFRPPBDGI-UHFFFAOYSA-NInChI: InChI=1S/C12H15BrN2O/c1-14-6-8-15(9-7-14)12(16)10-2-4-11(13)5-3-10/h2-5H,6-9H2,1H3
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(3-Bromo-4-fluorophenyl)(morpholino)methanoneCas Number: 1007207-89-7 Compound CID: 46738891Formula: C11H11BrFNO2 Molecular Weight: 288.11IUPAC Name: (3-bromo-4-fluorophenyl)-morpholin-4-ylmethanoneSMILES: C1COCCN1C(=O)C2=CC(=C(C=C2)F)BrInChIKey: LQLSTTTUFUYAMF-UHFFFAOYSA-NInChI: InChI=1S/C11H11BrFNO2/c12-9-7-8(1-2-10(9)13)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2
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(2-Fluoro-5-(propylcarbamoyl)phenyl)boronic acidCas Number: 874289-48-2 Compound CID: 44717466Formula: C10H13BFNO3 Molecular Weight: 225.03IUPAC Name: [2-fluoro-5-(propylcarbamoyl)phenyl]boronic acidSMILES: B(C1=C(C=CC(=C1)C(=O)NCCC)F)(O)OInChIKey: UTFWGDUSGXDUNF-UHFFFAOYSA-NInChI: InChI=1S/C10H13BFNO3/c1-2-5-13-10(14)7-3-4-9(12)8(6-7)11(15)16/h3-4,6,15-16H,2,5H2,1H3,(H,13,14)
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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)
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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)
