CAS Registry Number: 878745-51-8

Name:

4-​Pyrimidinecarboxylic acid, 2-​(trifluoromethyl)​-​, methyl ester
2-​Trifluoromethylpyrim​idine-​4-​carboxylic acid methyl ester; Methyl 2-​(trifluoromethyl)​pyrimidine-​4-​carboxylate 

Chemical Formula: C7H5F3N2O2
Exact Mass: 206.03
Molecular Weight: 206.12
m/z: 206.03 (100.0%), 207.03 (8.4%)
Elemental Analysis: C, 40.79; H, 2.45; F, 27.65; N, 13.59; O, 15.52

InChI: InChI=1S/C7H5F3N2O2/c1-14-5(13)4-2-3-11-6(12-4)7(8,9)10/h2-3H,1H3
InChIKey: VBFLWQBZJODKRL-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=NC(=NC=C1)C(F)(F)F

Specification

98%

PCT Int. Appl. (2014), WO 2014062938 A1 20140424. 

PCT Int. Appl. (2010), WO 2010011570 A1 20100128.