1.0 2010-04-08 22:10:42 UTC 2015-07-20 22:59:05 UTC FDB013429 Halosulfuron-methyl Herbicide used on maize, sugarcane and rice A 841101 Battalion C.i. Natural Brown 3 Halosulfuron-methyl [iso:bsi] Halosulfuron-methyl, BSI Inpool Manage MON 12000 MON 12037 NC 319 Permit Permit 75WG Sandea Sempra C13H15ClN6O7S 434.812 434.041145261 methyl 3-chloro-5-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]amino}sulfonyl)-1-methyl-1H-pyrazole-4-carboxylate methyl 3-chloro-5-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]aminosulfonyl}-1-methylpyrazole-4-carboxylate 100784-20-1 COC(=O)C1=C(N(C)N=C1Cl)S(=O)(=O)NC(=O)NC1=NC(OC)=CC(OC)=N1 InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22) FMGZEUWROYGLAY-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid group. Pyrazole carboxylic acids and derivatives Organic compounds Organoheterocyclic compounds Azoles Pyrazoles Aromatic heteromonocyclic compounds Alkyl aryl ethers Aminosulfonyl compounds Aryl chlorides Azacyclic compounds Carboximidic acids and derivatives Heteroaromatic compounds Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Organochlorides Organopnictogen compounds Organosulfonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Pyrimidines and pyrimidine derivatives Sulfonylureas Vinylogous amides Vinylogous halides Alkyl aryl ether Aminosulfonyl compound Aromatic heteromonocyclic compound Aryl chloride Aryl halide Azacycle Carboximidic acid derivative Carboxylic acid derivative Carboxylic acid ester Ether Heteroaromatic compound Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid or derivatives Organosulfur compound Propargyl-type 1,3-dipolar organic compound Pyrazole-4-carboxylic acid or derivatives Pyrimidine Sulfonyl Sulfonylurea Vinylogous amide Vinylogous halide Sulfonylurea herbicides pyrazoles logp 1.74 ALOGPS logs -3.30 ALOGPS solubility 2.18e-01 g/l ALOGPS melting_point Mp 176-177° logp 1.45 ChemAxon pka_strongest_acidic 4.53 ChemAxon pka_strongest_basic 1.68 ChemAxon iupac methyl 3-chloro-5-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]amino}sulfonyl)-1-methyl-1H-pyrazole-4-carboxylate ChemAxon average_mass 434.812 ChemAxon mono_mass 434.041145261 ChemAxon smiles COC(=O)C1=C(N(C)N=C1Cl)S(=O)(=O)NC(=O)NC1=NC(OC)=CC(OC)=N1 ChemAxon formula C13H15ClN6O7S ChemAxon inchi InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22) ChemAxon inchikey FMGZEUWROYGLAY-UHFFFAOYSA-N ChemAxon polar_surface_area 163.63 ChemAxon refractivity 109.13 ChemAxon polarizability 39.26 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 9 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23951 Specdb::CMs 172332 Specdb::NmrOneD 2068 Specdb::NmrOneD 2757 Specdb::MsMs 91155 Specdb::MsMs 91156 Specdb::MsMs 91157 Specdb::MsMs 154485 Specdb::MsMs 154486 Specdb::MsMs 154487 Specdb::MsMs 2786428 Specdb::MsMs 2786429 Specdb::MsMs 2786430 Specdb::MsMs 2923228 Specdb::MsMs 2923229 Specdb::MsMs 2923230 HMDB34859 #<Reference:0x000055ce3213d6d8>