1.0 2010-04-08 22:09:22 UTC 2019-11-26 03:04:18 UTC FDB010922 Methyl 4-chloro-1H-indole-3-acetate Auxin from the seeds of Pisum sativum (pea). Methyl 4-chloro-1H-indole-3-acetate is found in many foods, some of which are pulses, grass pea, lentils, and broad bean. 1H-Indole-3-acetic acid, 4-chloro-, methyl ester 4-chloro-indoleacetic Acid Methyl Ester 4-Chloroindole-3-acetic acid methyl ester 4-Chloroindolyl-3-acetic acid methyl ester Methyl (4-chloro-1H-indol-3-yl)acetate Methyl 4-chloro-1H-indole-3-acetate Methyl 4-chloroindolyl-3-acetate C11H10ClNO2 223.656 223.040006276 methyl 2-(4-chloro-1H-indol-3-yl)acetate methyl 2-(4-chloro-1H-indol-3-yl)acetate 19077-78-2 COC(=O)CC1=CNC2=CC=CC(Cl)=C12 InChI=1S/C11H10ClNO2/c1-15-10(14)5-7-6-13-9-4-2-3-8(12)11(7)9/h2-4,6,13H,5H2,1H3 SYPGJEURLIGNPE-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 Heteroaromatic compounds Hydrocarbon derivatives Methyl esters 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 derivative Carboxylic acid ester Heteroaromatic compound Hydrocarbon derivative Indole Indole-3-acetic acid derivative Methyl ester Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Substituted pyrrole logp 3.26 ALOGPS logs -2.77 ALOGPS solubility 3.83e-01 g/l ALOGPS melting_point Mp 120-121° logp 2.46 ChemAxon pka_strongest_acidic 14.71 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac methyl 2-(4-chloro-1H-indol-3-yl)acetate ChemAxon average_mass 223.656 ChemAxon mono_mass 223.040006276 ChemAxon smiles COC(=O)CC1=CNC2=CC=CC(Cl)=C12 ChemAxon formula C11H10ClNO2 ChemAxon inchi InChI=1S/C11H10ClNO2/c1-15-10(14)5-7-6-13-9-4-2-3-8(12)11(7)9/h2-4,6,13H,5H2,1H3 ChemAxon inchikey SYPGJEURLIGNPE-UHFFFAOYSA-N ChemAxon polar_surface_area 42.09 ChemAxon refractivity 58.03 ChemAxon polarizability 21.89 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25992 Specdb::CMs 146159 Specdb::MsMs 99255 Specdb::MsMs 99256 Specdb::MsMs 99257 Specdb::MsMs 164373 Specdb::MsMs 164374 Specdb::MsMs 164375 Specdb::MsMs 2724122 Specdb::MsMs 2724123 Specdb::MsMs 2724124 Specdb::MsMs 2954937 Specdb::MsMs 2954938 Specdb::MsMs 2954939 Specdb::EiMs 1922 HMDB32937 #<Reference:0x00007f093c19eb68> 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