1.0 2020-03-10 17:02:10 UTC 2020-04-22 18:56:25 UTC BMDB0096159 BMDB96159 Trichloroacetic acid TCA Trichloracetic acid Trichloressigsaeure Trichloroethanoic acid Trichloroacetate Acido tricloroacetico Trichloracetate Trichloroethanoate 2,2,2-Trichloro-acetic acid Acetic acid, trichloro- (solid) Aceto-caustin Acide trichloracetique Amchem grass killer CCL3cooh Konesta Kyselina trichloroctova TKhU TKhUK Trichloorazijnzuur Trichloressigsaure Trichloro-acetic acid Trichloroacetic acid (acd/name 4.0) Trichloroacetic acid solid (dot) Trichloroacetic acid solution (dot) Trichloroacetate, rubidium Sodium trichloroacetate Trichloracetique, acide Rubidium trichloroacetate Acid, trichloroacetic Sanofi brand OF trichloroacetic acid Trichloroacetate, sodium C2HCl3O2 163.387 161.904212397 trichloroacetic acid trichloroacetic acid 76-03-9 OC(=O)C(Cl)(Cl)Cl InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7) YNJBWRMUSHSURL-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Alpha-halocarboxylic acids and derivatives Alpha-halocarboxylic acids Alkyl chlorides Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organochlorides Aliphatic acyclic compound Alkyl chloride Alkyl halide Alpha-halocarboxylic acid Carbonyl group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organooxygen compound Aliphatic acyclic compounds Pesticides monocarboxylic acid organochlorine compound logp 1.17 ALOGPS logs -1.89 ALOGPS logp 1.53 ChemAxon pka_strongest_acidic 1.72 ChemAxon iupac trichloroacetic acid ChemAxon average_mass 163.387 ChemAxon mono_mass 161.904212397 ChemAxon smiles OC(=O)C(Cl)(Cl)Cl ChemAxon formula C2HCl3O2 ChemAxon inchi InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7) ChemAxon inchikey YNJBWRMUSHSURL-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 28.16 ChemAxon polarizability 11.32 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::EiMs 259 Specdb::MsIr 9493 Specdb::MsIr 9494 Specdb::MsIr 9495 Specdb::CMs 24925 Specdb::CMs 47670 Specdb::CMs 166345 Specdb::MsMs 67896 Specdb::MsMs 67897 Specdb::MsMs 67898 Specdb::MsMs 125802 Specdb::MsMs 125803 Specdb::MsMs 125804 Specdb::MsMs 2687756 Specdb::MsMs 2687757 Specdb::MsMs 2687758 Specdb::MsMs 2994212 Specdb::MsMs 2994213 Specdb::MsMs 2994214 DBSALT001528 10772050 6421 C11150 30956 CPD-9675 Trichloroacetic_Acid