1.0 2010-04-08 22:09:22 UTC 2019-11-26 03:04:18 UTC FDB010921 4-Chloro-1H-indole-3-acetic acid Auxin from the seeds of Pisum sativum (pea) and isolated from Pinus sylvestris (Scotch pine). 4-Chloro-1H-indole-3-acetic acid is found in many foods, some of which are broad bean, pulses, common pea, and grass pea. (4-chloro-1H-indol-3-yl)acetic acid 1H-Indole-3-acetic acid, 4-chloro- 4-chloro-1H-Indole-3-acetate 4-Chloro-IAA 4-Chloroindole-3-acetate 4-Chloroindole-3-acetic acid 4-Chloroindolyl-3-acetate 4-chloroindolyl-3-acetic acid 4-Cl-Iaa C10H8ClNO2 209.629 209.024356212 2-(4-chloro-1H-indol-3-yl)acetic acid 4-chloroindole-3-acetic acid 2519-61-1 OC(=O)CC1=CNC2=C1C(Cl)=CC=C2 InChI=1S/C10H8ClNO2/c11-7-2-1-3-8-10(7)6(5-12-8)4-9(13)14/h1-3,5,12H,4H2,(H,13,14) WNCFBCKZRJDRKZ-UHFFFAOYSA-N belongs to the class of organic compounds known as indole-3-acetic acid derivatives. Indole-3-acetic acid derivatives are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. Indole-3-acetic acid derivatives Organic compounds Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Aromatic heteropolycyclic compounds 3-alkylindoles Aryl chlorides Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Substituted pyrroles 3-alkylindole Aromatic heteropolycyclic compound Aryl chloride Aryl halide Azacycle Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Indole Indole-3-acetic acid derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Substituted pyrrole chloroindole-3-acetic acid logp 2.30 ALOGPS logs -2.69 ALOGPS solubility 4.24e-01 g/l ALOGPS melting_point Mp 179-180° logp 2.31 ChemAxon pka_strongest_acidic 4.14 ChemAxon iupac 2-(4-chloro-1H-indol-3-yl)acetic acid ChemAxon average_mass 209.629 ChemAxon mono_mass 209.024356212 ChemAxon smiles OC(=O)CC1=CNC2=C1C(Cl)=CC=C2 ChemAxon formula C10H8ClNO2 ChemAxon inchi InChI=1S/C10H8ClNO2/c11-7-2-1-3-8-10(7)6(5-12-8)4-9(13)14/h1-3,5,12H,4H2,(H,13,14) ChemAxon inchikey WNCFBCKZRJDRKZ-UHFFFAOYSA-N ChemAxon polar_surface_area 53.09 ChemAxon refractivity 53.26 ChemAxon polarizability 19.92 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5815 Specdb::MsIr 5816 Specdb::MsIr 5817 Specdb::CMs 20459 Specdb::CMs 43024 Specdb::CMs 174851 Specdb::MsMs 95865 Specdb::MsMs 95866 Specdb::MsMs 95867 Specdb::MsMs 160218 Specdb::MsMs 160219 Specdb::MsMs 160220 Specdb::MsMs 2472285 Specdb::MsMs 2472286 Specdb::MsMs 2472287 Specdb::MsMs 2489994 Specdb::MsMs 2489995 Specdb::MsMs 2489996 HMDB32936 20339 #<Reference:0x000055ce332e9030> Broad bean Type 1 specific Vicia faba 3906 Common pea Type 1 specific Pisum sativum 3888 Grass pea Type 1 specific Lathyrus sativus 3860 Lentils Type 1 generic Lens culinaris 3864 Pulses Unknown generic