1.0 2011-09-21 00:17:52 UTC 2015-10-09 22:31:49 UTC FDB022682 m-Chlorobenzoic acid m-Chlorobenzoic acid is a metabolic byproduct of the drug bupropion. Bupropion is sold as Wellbutrin, or Zyban and is an atypical antidepressant that acts as a norepinephrine and dopamine reuptake inhibitor, and nicotinic antagonist. In 2007 it was the fourth-most prescribed antidepressant in the United States retail market, with 20.184 million retail prescriptions. [HMDB] 3-cholro-benzoate 3-cholro-benzoic acid m-chlorobenzoate m-chlorobenzoic acid C7H5ClO2 156.566 155.997807111 3-chlorobenzoic acid 3-chlorobenzoic acid 535-80-8 OC(=O)C1=CC(Cl)=CC=C1 InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10) LULAYUGMBFYYEX-UHFFFAOYSA-N belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring. Halobenzoic acids Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds 3-halobenzoic acids Aryl chlorides Benzoic acids Benzoyl derivatives Carboxylic acids Chlorobenzenes Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organochlorides Organooxygen compounds 3-halobenzoic acid 3-halobenzoic acid or derivatives Aromatic homomonocyclic compound Aryl chloride Aryl halide Benzoic acid Benzoyl Carboxylic acid Carboxylic acid derivative Chlorobenzene Halobenzene Halobenzoic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organooxygen compound monochlorobenzoic acid Solid logp 2.24 ALOGPS logs -2.28 ALOGPS solubility 8.26e-01 g/l ALOGPS logp 2.23 ChemAxon pka_strongest_acidic 3.9 ChemAxon iupac 3-chlorobenzoic acid ChemAxon average_mass 156.566 ChemAxon mono_mass 155.997807111 ChemAxon smiles OC(=O)C1=CC(Cl)=CC=C1 ChemAxon formula C7H5ClO2 ChemAxon inchi InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10) ChemAxon inchikey LULAYUGMBFYYEX-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 38.12 ChemAxon polarizability 14.21 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 1728 Specdb::NmrTwoD 1669 Specdb::CMs 17751 Specdb::CMs 26930 Specdb::CMs 38116 Specdb::CMs 99698 Specdb::CMs 132341 Specdb::CMs 140075 Specdb::MsMs 1640 Specdb::MsMs 1641 Specdb::MsMs 1642 Specdb::MsMs 5378 Specdb::MsMs 305323 Specdb::MsMs 305324 Specdb::MsMs 305325 Specdb::MsMs 348715 Specdb::MsMs 348716 Specdb::MsMs 348717 Specdb::MsMs 2777747 Specdb::MsMs 2777748 Specdb::MsMs 2777749 Specdb::MsMs 2901186 Specdb::MsMs 2901187 Specdb::MsMs 2901188 Specdb::MsIr 1329 Specdb::MsIr 1330 Specdb::MsIr 1331 HMDB01544 19985 3BZ #<Reference:0x000055ce332daa30>