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CAS Number: 2516-96-3
2-chloro-5-nitrobenzoic acid

Structure

 2-chloro-5-nitrobenzoic acid
Name: 2-chloro-5-nitrobenzoic acid
Synonyms:
General Information
Product Number: 2516963

CAS Registry Number 2516-96-3
Name:
Benzoic acid, 2-?chloro-?5-?nitro-
2-Chloro-5-nitrobenzoic acid
4-Chloro-3-carboxynitrobenzene
5-Nitro-2-chlorobenzoic acid
6-Chloro-3-nitrobenzoic acid
NSC 8441

 

Chemical Formula: C7H4ClNO4
Exact Mass: 200.98
Molecular Weight: 201.56
m/z: 200.98 (100.0%), 202.98 (32.0%), 201.99 (7.8%), 203.98 (2.6%), 202.99 (1.1%)

 

InChI:InChI=1S/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)

InChI Key:QUEKGYQTRJVEQC-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

Specification

98%
References
  1. (1) Harding, A. P.; Journal of Chemical Information and Modeling 2009, V49(8), P1914-1924 CAPLUS
  2. (17) Hagiwara, Takuyuki; Analytical Sciences 1991, V7(1), P129-35 CAPLUS
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