1.0 2010-04-08 22:15:35 UTC 2019-11-26 03:20:07 UTC FDB021263 Benzofenap Herbicide used on rice. Benzofenap is found in cereals and cereal products. 2-[4-(2,4-Dichloro-m-toluoyl)-1,3-dimethylpyrazol-5-yloxy]-4'-methylacetophenone 4-(2,4-Dichloro-3-methylbenzoyl)-1,3-dimethyl-5-[(4-methylbenzoyl)methoxy]-1H-pyrazole Benzofenap [iso] MY 71 Yukawide C22H20Cl2N2O3 431.312 430.08509793 2-{[4-(2,4-dichloro-3-methylbenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl]oxy}-1-(4-methylphenyl)ethan-1-one benzofenap 82692-44-2 CN1N=C(C)C(C(=O)C2=C(Cl)C(C)=C(Cl)C=C2)=C1OCC(=O)C1=CC=C(C)C=C1 InChI=1S/C22H20Cl2N2O3/c1-12-5-7-15(8-6-12)18(27)11-29-22-19(14(3)25-26(22)4)21(28)16-9-10-17(23)13(2)20(16)24/h5-10H,11H2,1-4H3 JDWQITFHZOBBFE-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoylpyrazoles. These are aromatic compounds containing a benzoyl group substituted with a pyrazole ring. Benzoylpyrazoles Organic compounds Benzenoids Benzene and substituted derivatives Benzoyl derivatives Aromatic heteromonocyclic compounds Alkyl aryl ethers Alkyl-phenylketones Aryl alkyl ketones Aryl chlorides Aryl-phenylketones Azacyclic compounds Dichlorobenzenes Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Pyrazoles Toluenes Vinylogous amides Vinylogous halides 1,3-dichlorobenzene Alkyl aryl ether Alkyl-phenylketone Aromatic heteromonocyclic compound Aryl alkyl ketone Aryl chloride Aryl halide Aryl ketone Aryl-phenylketone Azacycle Azole Benzoylpyrazole Chlorobenzene Ether Halobenzene Heteroaromatic compound Hydrocarbon derivative Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylketone Pyrazole Toluene Vinylogous amide Vinylogous halide Pyrazole herbicides acetophenones logp 4.29 ALOGPS logs -5.95 ALOGPS solubility 4.85e-04 g/l ALOGPS melting_point Mp 133.1-133.5° logp 5.39 ChemAxon pka_strongest_acidic 16.65 ChemAxon pka_strongest_basic 2.25 ChemAxon iupac 2-{[4-(2,4-dichloro-3-methylbenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl]oxy}-1-(4-methylphenyl)ethan-1-one ChemAxon average_mass 431.312 ChemAxon mono_mass 430.08509793 ChemAxon smiles CN1N=C(C)C(C(=O)C2=C(Cl)C(C)=C(Cl)C=C2)=C1OCC(=O)C1=CC=C(C)C=C1 ChemAxon formula C22H20Cl2N2O3 ChemAxon inchi InChI=1S/C22H20Cl2N2O3/c1-12-5-7-15(8-6-12)18(27)11-29-22-19(14(3)25-26(22)4)21(28)16-9-10-17(23)13(2)20(16)24/h5-10H,11H2,1-4H3 ChemAxon inchikey JDWQITFHZOBBFE-UHFFFAOYSA-N ChemAxon polar_surface_area 61.19 ChemAxon refractivity 125.44 ChemAxon polarizability 43.56 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17272 Specdb::CMs 133057 Specdb::CMs 140791 Specdb::MsMs 77964 Specdb::MsMs 77965 Specdb::MsMs 77966 Specdb::MsMs 138207 Specdb::MsMs 138208 Specdb::MsMs 138209 Specdb::MsMs 2446965 Specdb::MsMs 2446966 Specdb::MsMs 2446967 Specdb::MsMs 2518287 Specdb::MsMs 2518288 Specdb::MsMs 2518289 HMDB41340 #<Reference:0x000055ce304eafa8> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic