877773-17-6
6-TRIFLUOROMETHYL-1H-INDAZOLE-3-CARBOXYLIC ACID METHYL ESTER
Name6-TRIFLUOROMETHYL-1H-INDAZOLE-3-CARBOXYLIC ACID METHYL ESTER
pro_formulaC10 H7 F3 N2 O2
1Identification
【Name】
6-TRIFLUOROMETHYL-1H-INDAZOLE-3-CARBOXYLIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD09878903
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C10 H7 F3 N2 O2
【pro_molWeight】
244.171
【Inchi】
InChI=1S/C10H7F3N2O2/c1-17-9(16)8-6-3-2-5(10(11,12)13)4-7(6)14-15-8/h2-4H,1H3,(H,14,15)
【InChIKey】
InChIKey=VSKCVMICQDVGNJ-UHFFFAOYSA-N
【SMILES】
COC(=O)c1c2ccc(cc2[nH]n1)C(F)(F)F
【MOL File】
6-TRIFLUOROMETHYL-1H….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
6-TRIFLUOROMETHYL-1H-INDAZOLE-3-CARBOXYLIC ACID METHYL ESTER.cml