CAS Registry Number: 958332-63-3

Name:

6-​Quinolinecarboxylic acid, 4-​chloro-​2-​(trifluoromethyl)​-​, methyl ester

Chemical Formula: C12H7ClF3NO2
Exact Mass: 289.01
Molecular Weight: 289.64
m/z: 289.01 (100.0%), 291.01 (32.0%), 290.02 (13.1%), 292.01 (4.3%), 291.02 (1.2%)
Elemental Analysis: C, 49.76; H, 2.44; Cl, 12.24; F, 19.68; N, 4.84; O, 11.05

InChI: InChI=1S/C12H7ClF3NO2/c1-19-11(18)6-2-3-9-7(4-6)8(13)5-10(17-9)12(14,15)16/h2-5H,1H3
InChIKey: SZKUQMZISQHQIO-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC2=C(C=C1)N=C(C=C2Cl)C(F)(F)F

Specification

98%

PCT Int. Appl. (2007), WO 2007133637 A2 20071122.