1.02010-04-08 22:09:22 UTC2019-11-26 03:04:18 UTCFDB0109214-Chloro-1H-indole-3-acetic acidAuxin 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 acid1H-Indole-3-acetic acid, 4-chloro-4-chloro-1H-Indole-3-acetate4-Chloro-IAA4-Chloroindole-3-acetate4-Chloroindole-3-acetic acid4-Chloroindolyl-3-acetate4-chloroindolyl-3-acetic acid4-Cl-IaaC10H8ClNO2209.629209.0243562122-(4-chloro-1H-indol-3-yl)acetic acid4-chloroindole-3-acetic acid2519-61-1OC(=O)CC1=CNC2=C1C(Cl)=CC=C2InChI=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 derivativesOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesIndolyl carboxylic acids and derivativesAromatic heteropolycyclic compounds3-alkylindolesAryl chloridesAzacyclic compoundsBenzenoidsCarbonyl compoundsCarboxylic acidsHeteroaromatic compoundsHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesOrganochloridesOrganonitrogen compoundsOrganopnictogen compoundsSubstituted pyrroles3-alkylindoleAromatic heteropolycyclic compoundAryl chlorideAryl halideAzacycleBenzenoidCarbonyl groupCarboxylic acidCarboxylic acid derivativeHeteroaromatic compoundHydrocarbon derivativeIndoleIndole-3-acetic acid derivativeMonocarboxylic acid or derivativesOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganochlorideOrganohalogen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundPyrroleSubstituted pyrrolechloroindole-3-acetic acidlogp2.30logs-2.69solubility4.24e-01 g/lmelting_pointMp 179-180°logp2.31pka_strongest_acidic4.14iupac2-(4-chloro-1H-indol-3-yl)acetic acidaverage_mass209.629mono_mass209.024356212smilesOC(=O)CC1=CNC2=C1C(Cl)=CC=C2formulaC10H8ClNO2inchiInChI=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)inchikeyWNCFBCKZRJDRKZ-UHFFFAOYSA-Npolar_surface_area53.09refractivity53.26polarizability19.92rotatable_bond_count2acceptor_count2donor_count2physiological_charge-1formal_charge0Specdb::MsIr5815Specdb::MsIr5816Specdb::MsIr5817Specdb::MsMs95865Specdb::MsMs95866Specdb::MsMs95867Specdb::MsMs160218Specdb::MsMs160219Specdb::MsMs160220Specdb::MsMs2472285Specdb::MsMs2472286Specdb::MsMs2472287Specdb::MsMs2489994Specdb::MsMs2489995Specdb::MsMs2489996Specdb::CMs20459Specdb::CMs43024Specdb::CMs174851HMDB3293620339#<Reference:0x0000555674995e60>Broad beanType 1specificVicia faba3906Common peaType 1specificPisum sativum3888Grass peaType 1specificLathyrus sativus3860LentilsType 1genericLens culinaris3864PulsesUnknowngeneric