1.0 2010-04-08 22:10:42 UTC 2015-07-20 22:59:02 UTC FDB013420 Flumioxazin Herbicide used on soybeans, peanuts, orchard fruits and other crops 2-[7-Fluoro-3,4-dihydro-3-oxo-4-(2-propynyl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione, 9CI EINECS Annex I Index 613-166-00-X Flumioxazin Flumioxazin [iso] S 53482 S-53482 Sumisoya V 53482 C19H15FN2O4 354.3318 354.101585183 2-[7-fluoro-3-oxo-4-(prop-2-yn-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-2,3,4,5,6,7-hexahydro-1H-isoindole-1,3-dione flumioxazin 103361-09-7 FC1=CC2=C(C=C1N1C(=O)C3=C(CCCC3)C1=O)N(CC#C)C(=O)CO2 InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2 FOUWCSDKDDHKQP-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoxazinones. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group. Benzoxazinones Organic compounds Organoheterocyclic compounds Benzoxazines Benzoxazinones Aromatic heteropolycyclic compounds Acetylides Alkyl aryl ethers Aryl fluorides Azacyclic compounds Benzenoids Benzomorpholines Carbonyl compounds Dicarboximides Hydrocarbon derivatives Isoindoles Isoindolones Lactams Maleimides N-substituted carboxylic acid imides Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pyrrolines Tertiary carboxylic acid amides Acetylide Alkyl aryl ether Aromatic heteropolycyclic compound Aryl fluoride Aryl halide Azacycle Benzenoid Benzomorpholine Benzoxazinone Carbonyl group Carboxamide group Carboxylic acid derivative Carboxylic acid imide Carboxylic acid imide, n-substituted Dicarboximide Ether Hydrocarbon derivative Isoindole Isoindole or derivatives Isoindolone Lactam Maleimide Organic nitrogen compound Organic oxide Organic oxygen compound Organofluoride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxazinane Pyrroline Tertiary carboxylic acid amide benzoxazine logp 1.49 ALOGPS logs -3.95 ALOGPS solubility 4.00e-02 g/l ALOGPS melting_point Mp 201-204° (195-196°) logp 1.48 ChemAxon pka_strongest_basic 1.03 ChemAxon iupac 2-[7-fluoro-3-oxo-4-(prop-2-yn-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-2,3,4,5,6,7-hexahydro-1H-isoindole-1,3-dione ChemAxon average_mass 354.3318 ChemAxon mono_mass 354.101585183 ChemAxon smiles FC1=CC2=C(C=C1N1C(=O)C3=C(CCCC3)C1=O)N(CC#C)C(=O)CO2 ChemAxon formula C19H15FN2O4 ChemAxon inchi InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2 ChemAxon inchikey FOUWCSDKDDHKQP-UHFFFAOYSA-N ChemAxon polar_surface_area 66.92 ChemAxon refractivity 89.82 ChemAxon polarizability 35.26 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24339 Specdb::CMs 132609 Specdb::CMs 140343 Specdb::MsMs 50061 Specdb::MsMs 50062 Specdb::MsMs 50063 Specdb::MsMs 111378 Specdb::MsMs 111379 Specdb::MsMs 111380 Specdb::MsMs 443869 Specdb::MsMs 443870 Specdb::MsMs 443871 Specdb::MsMs 443872 Specdb::MsMs 443873 Specdb::MsMs 443874 Specdb::MsMs 2238694 Specdb::MsMs 2240796 Specdb::MsMs 2240887 Specdb::MsMs 2242914 Specdb::MsMs 2242948 Specdb::MsMs 2252895 Specdb::MsMs 2253585 Specdb::MsMs 2254915 Specdb::MsMs 2255648 Specdb::MsMs 2259015 Specdb::MsMs 2833536 Specdb::MsMs 2833537 Specdb::MsMs 2833538 HMDB34854 #<Reference:0x000055ce3233aee0>