CAS Registry Number: 941294-14-0

Name:

Benzoic acid, 4-​chloro-​2-​fluoro-​, 1,​1-​dimethylethyl ester

Chemical Formula: C11H12ClFO2
Exact Mass: 230.05
Molecular Weight: 230.66
m/z: 230.05 (100.0%), 232.05 (32.0%), 231.05 (11.9%), 233.05 (3.9%), 232.06 (1.1%)

InChI: InChI=1S/C11H12ClFO2/c1-11(2,3)15-10(14)8-5-4-7(12)6-9(8)13/h4-6H,1-3H3
InChIKey: WVGOSBIYTOJPTI-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)C1=C(C=C(C=C1)Cl)F

Specification

98%

Science (Washington, DC, United States) (2010), 328(5986), 1679-1681.