1.0 2020-04-06 11:09:23 UTC 2025-11-19 03:10:36 UTC FDB111692 Trichloroacetic acid C2HCl3O2 163.387 161.904212397 trichloroacetic acid trichloroacetic acid 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. Alpha-halocarboxylic acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Alpha-halocarboxylic acids and derivatives Aliphatic acyclic compounds 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 Pesticides monocarboxylic acid organochlorine compound logp 1.17 ALOGPS logs -1.89 ALOGPS solubility 2.12e+00 g/l 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 Specdb::EiMs 259 Specdb::MsIr 9493 Specdb::MsIr 9494 Specdb::MsIr 9495 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 Specdb::CMs 24925 Specdb::CMs 47670 Specdb::CMs 166345 HMDB0042048 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823