445-71-6
ETHYL 5-CYANO-6-METHYL-2-(TRIFLUOROMETHYL)NICOTINATE
NameETHYL 5-CYANO-6-METHYL-2-(TRIFLUOROMETHYL)NICOTINATE
pro_formulaC11 H9 F3 N2 O2
1Identification
【Name】
ETHYL 5-CYANO-6-METHYL-2-(TRIFLUOROMETHYL)NICOTINATE
【CAS】
【MDL】
MFCD01312037
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C11 H9 F3 N2 O2
【pro_molWeight】
258.198
【Inchi】
InChI=1S/C11H9F3N2O2/c1-3-18-10(17)8-4-7(5-15)6(2)16-9(8)11(12,13)14/h4H,3H2,1-2H3
【InChIKey】
InChIKey=CEHOHKHJMDKBNM-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cc(c(nc1C(F)(F)F)C)C#N
【MOL File】
ETHYL 5-CYANO-6-METH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ETHYL 5-CYANO-6-METHYL-2-(TRIFLUOROMETHYL)NICOTINATE.cml