CAS Registry Number: 36138-28-0

Name:

Benzoic acid, 3-​chloro-​5-​nitro-​, methyl ester
3-​Chloro-​5-​nitrobenzoic acid methyl ester; Methyl 3-​chloro-​5-​nitrobenzoate 

Chemical Formula: C8H6ClNO4
Exact Mass: 215.00
Molecular Weight: 215.59
m/z: 215.00 (100.0%), 217.00 (32.8%), 216.00 (9.2%), 218.00 (2.8%)
Elemental Analysis: C, 44.57; H, 2.81; Cl, 16.44; N, 6.50; O, 29.68

InChI: InChI=1S/C8H6ClNO4/c1-14-8(11)5-2-6(9)4-7(3-5)10(12)13/h2-4H,1H3
InChIKey: UYQJTXQJNZMDBI-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=CC(=C1)Cl)[N+](=O)[O-]

Specification

98%

PCT Int. Appl. (2012), WO 2012121361 A1 20120913.                                  

PCT Int. Appl. (2010), WO 2010115836 A1 20101014.