CAS Registry Number: 51282-49-6

Name:

Benzoic acid, 5-​chloro-​2-​nitro-​, methyl ester
4-​Chloro-​2-​methoxycarbonylnitro​benzene; 5-​Chloro-​2-​nitrobenzoic acid methyl ester; Methyl 5-​chloro-​2-​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%)

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

Specification

98%

1. (1) Naffziger, Michael R.; Journal of Organic Chemistry 2007, V72(26), P9857-9865 CAPLUS
2. (2) Yang, Qian; Synthetic Communications 2008, V38(23), P4107-4115 CAPLUS