868851-35-8
5-METHYL-2-(4-TRIFLUOROMETHOXYPHENYL)-3H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
Name5-METHYL-2-(4-TRIFLUOROMETHOXYPHENYL)-3H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
5-METHYL-2-(4-TRIFLUOROMETHOXYPHENYL)-3H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD08276107
【English Synonyms】
【Formula】
C14 H13 F3 N2 O3
【MolWeight】
314.262
【Inchi】
InChI=1S/C14H13F3N2O3/c1-3-21-13(20)11-8(2)18-12(19-11)9-4-6-10(7-5-9)22-14(15,16)17/h4-7H,3H2,1-2H3,(H,18,19)
【InChIKey】
InChIKey=NXBWBOSSEPATOL-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(nc([nH]1)c2ccc(cc2)OC(F)(F)F)C
【MOL File】
5-METHYL-2-(4-TRIFLU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5-METHYL-2-(4-TRIFLUOROMETHOXYPHENYL)-3H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER.cml