CAS Registry Number: 199872-29-2

Name:

5-​Quinolinecarboxylic acid, 8-​methoxy-​2-​(trifluoromethyl)​-
8-​Methoxy-​2-​(trifluoromethyl)​quinoline-​5-​carboxylic acid 

Chemical Formula: C12H8F3NO3
Exact Mass: 271.05
Molecular Weight: 271.19
m/z: 271.05 (100.0%), 272.05 (13.2%), 273.05 (1.5%)

InChI: InChI=1S/C12H8F3NO3/c1-19-8-4-2-7(11(17)18)6-3-5-9(12(13,14)15)16-10(6)8/h2-5H,1H3,(H,17,18)
InChIKey: WSFPCQOJBVMWEE-UHFFFAOYSA-N
Canonical SMILES : COC1=C2C(=C(C=C1)C(=O)O)C=CC(=N2)C(F)(F)F

Specification

98%

PCT Int. Appl. (2005), WO 2005116009 A1 20051208.

PCT Int. Appl. (2005), WO 2005028471 A1 20050331.