1.0 2016-09-30 22:43:55 UTC 2020-04-22 15:07:34 UTC BMDB0001309 BMDB01309 m-Chlorohippuric acid m-Chlorohippate m-Chlorohippic acid 3-Chlorohippuric acid 3-Chlorohippate 3-Chlorohippic acid (3-chloro-benzoylamino)-Acetic acid (3-chlorobenzoylamino)Acetic acid m-Chlorohippurate N-(3-Chlorobenzoyl)glycine 2-{[(3-chlorophenyl)(hydroxy)methylidene]amino}acetate C9H8ClNO3 213.618 213.019270834 2-[(3-chlorophenyl)formamido]acetic acid m-chlorohippuric acid 57728-59-3 OC(=O)CNC(=O)C1=CC(Cl)=CC=C1 InChI=1S/C9H8ClNO3/c10-7-3-1-2-6(4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13) ICYUIIJXZHPESK-UHFFFAOYSA-N belongs to the class of organic compounds known as hippuric acids. Hippuric acids are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine. Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Hippuric acids 3-halobenzoic acids and derivatives Aryl chlorides Benzoyl derivatives Carbonyl compounds Carboxylic acids Chlorobenzenes Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides 3-halobenzoic acid or derivatives Alpha-amino acid or derivatives Aromatic homomonocyclic compound Aryl chloride Aryl halide Benzoyl Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Chlorobenzene Halobenzene Halobenzoic acid or derivatives Hippuric acid Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide Aromatic homomonocyclic compounds Solid logp 0.97 ALOGPS logs -2.81 ALOGPS logp 1.13 ChemAxon pka_strongest_acidic 3.19 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac 2-[(3-chlorophenyl)formamido]acetic acid ChemAxon average_mass 213.618 ChemAxon mono_mass 213.019270834 ChemAxon smiles OC(=O)CNC(=O)C1=CC(Cl)=CC=C1 ChemAxon formula C9H8ClNO3 ChemAxon inchi InChI=1S/C9H8ClNO3/c10-7-3-1-2-6(4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13) ChemAxon inchikey ICYUIIJXZHPESK-UHFFFAOYSA-N ChemAxon polar_surface_area 66.4 ChemAxon refractivity 50.92 ChemAxon polarizability 19.82 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 22583 Specdb::CMs 38015 Specdb::CMs 164210 Specdb::MsMs 316153 Specdb::MsMs 316154 Specdb::MsMs 316155 Specdb::MsMs 362329 Specdb::MsMs 362330 Specdb::MsMs 362331 Specdb::MsMs 2343281 Specdb::MsMs 2343282 Specdb::MsMs 2343283 Specdb::MsMs 2594917 Specdb::MsMs 2594918 Specdb::MsMs 2594919 FDB022545 435 613377 448 6149 Taboada, J.; Pavon, A.; Cetina, R. Synthesis of substituted hippuric acids and ir spectra of the intermediate amidoalcohols. Revista de la Sociedad Quimica de Mexico (1975), 19(1), 10-12.