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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-Bromo-5-cyanobenzoic acidCas Number: 845616-12-8 Compound CID: 53256761Formula: C8H4BrNO2 Molecular Weight: 226.03IUPAC Name: 2-bromo-5-cyanobenzoic acidSMILES: C1=CC(=C(C=C1C#N)C(=O)O)BrInChIKey: LFMSICZVBGWOIA-UHFFFAOYSA-NInChI: InChI=1S/C8H4BrNO2/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-3H,(H,11,12) -
2-BROMO-4-FLUORO-N-METHYLBENZAMIDECas Number: 1006-40-2 Compound CID: 20372234Formula: C7H5BrFNO Molecular Weight: 218.025IUPAC Name: 2-bromo-4-fluorobenzamideSMILES: C1=CC(=C(C=C1F)Br)C(=O)NInChIKey: IWODMEGZVDWKPK-UHFFFAOYSA-NInChI: InChI=1S/C7H5BrFNO/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H2,10,11)
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2-(Benzyloxy)-4-bromobenzoic acidCas Number: 693257-19-1 Compound CID: 53211437Formula: C14H11BrO3 Molecular Weight: 307.143IUPAC Name: 4-bromo-2-phenylmethoxybenzoic acidSMILES: C1=CC=C(C=C1)COC2=C(C=CC(=C2)Br)C(=O)OInChIKey: BFEVNLBJIJNYRW-UHFFFAOYSA-NInChI: InChI=1S/C14H11BrO3/c15-11-6-7-12(14(16)17)13(8-11)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
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2,5-Difluoro-3-methylbenzoic acidCas Number: 1003710-01-7 Compound CID: 44887031Formula: C8H6F2O2 Molecular Weight: 172.131IUPAC Name: 2,5-difluoro-3-methylbenzoic acidSMILES: CC1=CC(=CC(=C1F)C(=O)O)FInChIKey: PATNBLNHYHHRQH-UHFFFAOYSA-NInChI: InChI=1S/C8H6F2O2/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3H,1H3,(H,11,12)
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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
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Piperazine-1，4-diylbis((4-chlorophenyl)methanone)Cas Number: 107785-63-7 Compound CID: 258322Formula: C18H16N2O2Cl2 Molecular Weight: 363.24IUPAC Name: [4-(4-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanoneSMILES: C1CN(CCN1C(=O)C2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)ClInChIKey: UXYNNMHHFGAVAK-UHFFFAOYSA-NInChI: InChI=1S/C18H16Cl2N2O2/c19-15-5-1-13(2-6-15)17(23)21-9-11-22(12-10-21)18(24)14-3-7-16(20)8-4-14/h1-8H,9-12H2
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N-succinimidyl 4-iodobenzoateCas Number: 39028-25-6 Compound CID: 170152Formula: C11H8INO4 Molecular Weight: 345.09IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-iodobenzoateSMILES: C1CC(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)IInChIKey: FUJICALGSOMFAM-UHFFFAOYSA-NInChI: InChI=1S/C11H8INO4/c12-8-3-1-7(2-4-8)11(16)17-13-9(14)5-6-10(13)15/h1-4H,5-6H2
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4-Chloro-N-HydroxybenzamideIUPAC Name: 4-chloro-N-hydroxybenzamideSMILES: C1=CC(=CC=C1C(=O)NO)ClInChIKey: DODOQPRLYSBBHR-UHFFFAOYSA-NInChI: InChI=1S/C7H6ClNO2/c8-6-3-1-5(2-4-6)7(10)9-11/h1-4,11H,(H,9,10)
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3,4,5-Trichlorobenzoic acidCas Number: 51-39-8Formula: C7H3Cl3O2 Molecular Weight: 225.46IUPAC Name: 3,4,5-trichlorobenzoic acidSMILES: C1=C(C=C(C(=C1Cl)Cl)Cl)C(=O)OInChIKey: ICUICNRYLHKQGS-UHFFFAOYSA-NInChI: InChI=1S/C7H3Cl3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
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3，4-Difluoro-5-methylbenzoic acidCas Number: 1017778-60-7 Compound CID: 20112149Formula: C8H6F2O2 Molecular Weight: 172.13IUPAC Name: 3,4-difluoro-5-methylbenzoic acidSMILES: CC1=CC(=CC(=C1F)F)C(=O)OInChIKey: RNAYJQUWVKDTJZ-UHFFFAOYSA-NInChI: InChI=1S/C8H6F2O2/c1-4-2-5(8(11)12)3-6(9)7(4)10/h2-3H,1H3,(H,11,12)
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3-Fluoro-4-methylbenzoyl chlorideCas Number: 59189-97-8 Compound CID: 2734875Formula: C8H6ClFO Molecular Weight: 172.59IUPAC Name: 3-fluoro-4-methylbenzoyl chlorideSMILES: CC1=C(C=C(C=C1)C(=O)Cl)FInChIKey: DPWCZSXNEGNALT-UHFFFAOYSA-NInChI: InChI=1S/C8H6ClFO/c1-5-2-3-6(8(9)11)4-7(5)10/h2-4H,1H3
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3-Cyano-5-fluorobenzoic acidCas Number: 327056-74-6 Compound CID: 2757963Formula: C8H4FNO2 Molecular Weight: 165.12IUPAC Name: 3-cyano-5-fluorobenzoic acidSMILES: C1=C(C=C(C=C1C(=O)O)F)C#NInChIKey: HADZSOZVTCEMNP-UHFFFAOYSA-NInChI: InChI=1S/C8H4FNO2/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-3H,(H,11,12)
