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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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(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) -
2-Chlorobenzoic acid-d4Cas Number: 1219795-28-4Formula: C7D4HClO2 Molecular Weight: 160.59IUPAC Name: 2-chloro-3,4,5,6-tetradeuteriobenzoic acidSMILES: C1=CC=C(C(=C1)C(=O)O)ClInChIKey: IKCLCGXPQILATA-RHQRLBAQSA-NInChI: InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)/i1D,2D,3D,4DSynonyms: o-Chlorobenzoic Acid-d4 | 2-CBA-d4 | NSC 15042-d4 | NSC 32737-d4 | o-Chlorobenzoic Acid-d4
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3-Bromo-4-ethoxybenzoic acidCas Number: 24507-29-7 Compound CID: 3116194Formula: C9H9BrO3 Molecular Weight: 245.08IUPAC Name: 3-bromo-4-ethoxybenzoic acidSMILES: CCOC1=C(C=C(C=C1)C(=O)O)BrInChIKey: XCKMWULLKHQZIP-UHFFFAOYSA-NInChI: InChI=1S/C9H9BrO3/c1-2-13-8-4-3-6(9(11)12)5-7(8)10/h3-5H,2H2,1H3,(H,11,12)
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3-Bromo-4-(difluoromethyl)benzoic acidCas Number: 1131615-04-7 Compound CID: 44828521Formula: C8H5BrF2O2 Molecular Weight: 251.02IUPAC Name: 3-bromo-4-(difluoromethyl)benzoic acidSMILES: C1=CC(=C(C=C1C(=O)O)Br)C(F)FInChIKey: QUYNTKMTYJLIIG-UHFFFAOYSA-NInChI: InChI=1S/C8H5BrF2O2/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,7H,(H,12,13)
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3-Bromo-2，5-difluorobenzoic acidCas Number: 1520538-81-1 Compound CID: 72207026Formula: C7H3BrF2O2 Molecular Weight: 237IUPAC Name: 3-bromo-2,5-difluorobenzoic acidSMILES: C1=C(C=C(C(=C1C(=O)O)F)Br)FInChIKey: SRZCLFLALXTCLA-UHFFFAOYSA-NInChI: InChI=1S/C7H3BrF2O2/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2H,(H,11,12)
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3-Bromo-2，6-dimethylbenzoic acidCas Number: 123278-07-9 Compound CID: 8167142Formula: C9H9O2Br Molecular Weight: 229.07IUPAC Name: 3-bromo-2,6-dimethylbenzoic acidSMILES: CC1=C(C(=C(C=C1)Br)C)C(=O)OInChIKey: KSSHISAHZOMUES-UHFFFAOYSA-NInChI: InChI=1S/C9H9BrO2/c1-5-3-4-7(10)6(2)8(5)9(11)12/h3-4H,1-2H3,(H,11,12)
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3-Bromo-2-propylbenzoic acidCas Number: 1263284-52-1 Compound CID: 46941411Formula: C10H11BrO2 Molecular Weight: 243.1IUPAC Name: 3-bromo-2-propylbenzoic acidSMILES: CCCC1=C(C=CC=C1Br)C(=O)OInChIKey: OZYCMZGDFXPYFU-UHFFFAOYSA-NInChI: InChI=1S/C10H11BrO2/c1-2-4-7-8(10(12)13)5-3-6-9(7)11/h3,5-6H,2,4H2,1H3,(H,12,13)
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3-Borono-5-Fluoro-4-Methylbenzoic AcidCas Number: 917223-87-1 Compound CID: 67198949Formula: C8H8BFO4IUPAC Name: 3-borono-5-fluoro-4-methylbenzoic acidSMILES: B(C1=CC(=CC(=C1C)F)C(=O)O)(O)OInChIKey: KLHYMSYPRCYQQZ-UHFFFAOYSA-NInChI: InChI=1S/C8H8BFO4/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10/h2-3,13-14H,1H3,(H,11,12)
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3-Bromo-4-propylbenzoic acidCas Number: 1131615-01-4 Compound CID: 20387043Formula: C10H11BrO2 Molecular Weight: 243.1IUPAC Name: 3-bromo-4-propylbenzoic acidSMILES: CCCC1=C(C=C(C=C1)C(=O)O)BrInChIKey: VLXUNAMNAIRVJU-UHFFFAOYSA-NInChI: InChI=1S/C10H11BrO2/c1-2-3-7-4-5-8(10(12)13)6-9(7)11/h4-6H,2-3H2,1H3,(H,12,13)
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3,4,5-Triiodobenzoic acidCas Number: 2338-20-7 EC Number: 219-050-1Formula: C7H3I3O2 Molecular Weight: 499.81IUPAC Name: 3,4,5-triiodobenzoic acidSMILES: C1=C(C=C(C(=C1I)I)I)C(=O)OInChIKey: UCBKDZNMPMBJAB-UHFFFAOYSA-NInChI: InChI=1S/C7H3I3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)Synonyms: 3,4,5-triiodo-benzoicaci
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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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2，4，5-Trifluoro-3-ethoxybenzoic acidCas Number: 169507-61-3 Compound CID: 10632694Formula: C9H7F3O3 Molecular Weight: 220.147IUPAC Name: 3-ethoxy-2,4,5-trifluorobenzoic acidSMILES: CCOC1=C(C(=CC(=C1F)F)C(=O)O)FInChIKey: HXAPHOPNZQFBEJ-UHFFFAOYSA-NInChI: InChI=1S/C9H7F3O3/c1-2-15-8-6(11)4(9(13)14)3-5(10)7(8)12/h3H,2H2,1H3,(H,13,14)
