CAS Registry Number: 151504-81-3

Name:

Benzoic acid, 4-​fluoro-​2-​nitro-​, methyl ester
4-​Fluoro-​2-​nitrobenzoic acid methyl ester; Methyl 4-​fluoro-​2-​nitrobenzoate 

Chemical Formula: C8H6FNO4
Exact Mass: 199.03
Molecular Weight: 199.14
m/z: 199.03 (100.0%), 200.03 (9.2%), 201.03 (1.2%)
Elemental Analysis: C, 48.25; H, 3.04; F, 9.54; N, 7.03; O, 32.14

InChI: InChI=1S/C8H6FNO4/c1-14-8(11)6-3-2-5(9)4-7(6)10(12)13/h2-4H,1H3
InChIKey: YBAZOLISUXINHV-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=C(C=C1)F)[N+](=O)[O-]

Specification

98%

PCT Int. Appl. (2013), WO 2013161853 A1 20131031.

PCT Int. Appl. (2010), WO 2010037210 A1 20100408.