CAS Registry Number: 1121586-29-5

Name:

Benzoic acid, 4-​fluoro-​3-​iodo-​, methyl ester
Methyl 4-​fluoro-​3-​iodobenzoate 

Chemical Formula: C8H6FIO2
Exact Mass: 279.94
Molecular Weight: 280.03
m/z: 279.94 (100.0%), 280.94 (8.7%)
Elemental Analysis: C, 34.31; H, 2.16; F, 6.78; I, 45.32; O, 11.43

InChI: InChI=1S/C8H6FIO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3
InChIKey: VVVNAJAWYUURAO-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=C(C=C1)F)I

Specification

98%

1. (1) Lo, Shih-Chun; Journal of Materials Chemistry 2009, V19(20), P3213-3227 CAPLUS