CAS Registry Number: 175204-89-4

Name:

Benzoic acid, 2-​hydroxy-​5-​(trifluoromethoxy)​-​, methyl ester

Chemical Formula: C9H7F3O4
Exact Mass: 236.03
Molecular Weight: 236.14
m/z: 236.03 (100.0%), 237.03 (9.9%)
Elemental Analysis: C, 45.78; H, 2.99; F, 24.14; O, 27.10

InChI: InChI=1S/C12H10F6O4/c1-20-10(19)8-4-7(21-5-11(13,14)15)2-3-9(8)22-6-12(16,17)18/h2-4H,5-6H2,1H3
InChIKey: YLMXTGWAYICZRY-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=CC(=C1)OCC(F)(F)F)OCC(F)(F)F

Specification

98%

PCT Int. Appl. (2007), WO 2007027842 A1 20070308.