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CAS Number: 21327-86-6
2-chloro-6-methylbenzoic acid

Structure

2-chloro-6-methylbenzoic acid
Name: 2-chloro-6-methylbenzoic acid
Synonyms:
General Information
Product Number: 21327866

CAS Registry Number 21327-86-6
Name:
Benzoic acid, 2-​chloro-​6-​methyl-
o-Toluic acid, 6-chloro- (6CI,7CI,8CI)
2-Chloro-6-methylbenzoic acid

 

Chemical Formula: C8H7ClO2
Exact Mass: 170.01
Molecular Weight: 170.59
m/z: 170.01 (100.0%), 172.01 (32.0%), 171.02 (8.8%), 173.01 (2.8%)

 

InChI:InChI=1S/C8H7ClO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H,10,11)

InChI Key:CEFMMQYDPGCYMG-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C(=CC=C1)Cl)C(=O)O

Specification

98%

References
  1. (1) Harding, A. P.; Journal of Chemical Information and Modeling 2009, V49(8), P1914-1924 CAPLUS
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