103058-78-2
ETHYL 1-(2,4-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLATE
NameETHYL 1-(2,4-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLATE
pro_formulaC12 H11 Cl2 N3 O2
1Identification
【Name】
ETHYL 1-(2,4-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD00172419
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C12 H11 Cl2 N3 O2
【pro_molWeight】
300.144
【Inchi】
InChI=1S/C12H11Cl2N3O2/c1-3-19-12(18)11-15-7(2)17(16-11)10-5-4-8(13)6-9(10)14/h4-6H,3H2,1-2H3
【InChIKey】
InChIKey=QUDVACRZWGPJNZ-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1nc(n(n1)c2ccc(cc2Cl)Cl)C
【MOL File】
ETHYL 1-(2,4-DICHLOR….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ETHYL 1-(2,4-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLATE.cml