1.0 2010-04-08 22:10:42 UTC 2015-07-20 22:59:06 UTC FDB013430 Flumiclorac-pentyl Post-emergence herbicide used against broad-leaved weeds in soybeans and maize Flumiclorac pentyl Flumiclorac-pentyl Flumiclorac-pentyl [iso] Flumiclorac-pentyl, ANSI, BSI Resource S 23031 S-23031 Sumiverde V 23031 C21H23ClFNO5 423.862 423.124878763 pentyl 2-[2-chloro-5-(1,3-dioxo-2,3,4,5,6,7-hexahydro-1H-isoindol-2-yl)-4-fluorophenoxy]acetate flumiclorac pentyl 87546-18-7 CCCCCOC(=O)COC1=C(Cl)C=C(F)C(=C1)N1C(=O)C2=C(CCCC2)C1=O InChI=1S/C21H23ClFNO5/c1-2-3-6-9-28-19(25)12-29-18-11-17(16(23)10-15(18)22)24-20(26)13-7-4-5-8-14(13)21(24)27/h10-11H,2-9,12H2,1H3 IRECWLYBCAZIJM-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond. Phenylpyrrolines Organic compounds Organoheterocyclic compounds Pyrrolines Phenylpyrrolines Aromatic heteropolycyclic compounds Alkyl aryl ethers Aryl chlorides Aryl fluorides Azacyclic compounds Carbonyl compounds Carboxylic acid esters Chlorobenzenes Dicarboximides Fluorobenzenes Hydrocarbon derivatives Isoindoles Isoindolones Lactams Maleimides Monocarboxylic acids and derivatives N-substituted carboxylic acid imides Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organopnictogen compounds Phenol ethers Phenoxy compounds Phenoxyacetic acid derivatives Pyrroles 1-phenylpyrroline Alkyl aryl ether Aromatic heteropolycyclic compound Aryl chloride Aryl fluoride Aryl halide Azacycle Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Carboxylic acid imide Carboxylic acid imide, n-substituted Chlorobenzene Dicarboximide Ether Fluorobenzene Halobenzene Hydrocarbon derivative Isoindole Isoindole or derivatives Isoindolone Lactam Maleimide Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organofluoride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Phenoxyacetate Pyrrole pyrroline logp 4.30 ALOGPS logs -5.10 ALOGPS solubility 3.36e-03 g/l ALOGPS melting_point Mp 90° logp 4.44 ChemAxon pka_strongest_basic 1 ChemAxon iupac pentyl 2-[2-chloro-5-(1,3-dioxo-2,3,4,5,6,7-hexahydro-1H-isoindol-2-yl)-4-fluorophenoxy]acetate ChemAxon average_mass 423.862 ChemAxon mono_mass 423.124878763 ChemAxon smiles CCCCCOC(=O)COC1=C(Cl)C=C(F)C(=C1)N1C(=O)C2=C(CCCC2)C1=O ChemAxon formula C21H23ClFNO5 ChemAxon inchi InChI=1S/C21H23ClFNO5/c1-2-3-6-9-28-19(25)12-29-18-11-17(16(23)10-15(18)22)24-20(26)13-7-4-5-8-14(13)21(24)27/h10-11H,2-9,12H2,1H3 ChemAxon inchikey IRECWLYBCAZIJM-UHFFFAOYSA-N ChemAxon polar_surface_area 72.91 ChemAxon refractivity 104.95 ChemAxon polarizability 43.2 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18583 Specdb::CMs 169921 Specdb::MsMs 76356 Specdb::MsMs 76357 Specdb::MsMs 76358 Specdb::MsMs 136167 Specdb::MsMs 136168 Specdb::MsMs 136169 Specdb::MsMs 2410663 Specdb::MsMs 2410664 Specdb::MsMs 2410665 Specdb::MsMs 2554471 Specdb::MsMs 2554472 Specdb::MsMs 2554473 HMDB34860 #<Reference:0x000055ce322cda98>