3-(Chloromethyl)benzoic acid

3-(Chloromethyl)benzoic acid (m-Chloromethylbenzoic acid) is a meta-substituted benzoic acid derivative. Correlations between Hammett substituent constants and calculated dipole moments and molecular transform and normalized molecular moment structure indices for m-chloromethylbenzoic acid was investigated. Hammett constants were observed to be linearly related only to the normalized charge moment index.

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Catalog Number CBB1120054
Alternative Name(s) α-Chloro-m-toluic acid
Molecular Formula ClCH2C6H4CO2H
CAS# 31719-77-4
Purity >97%
Inchi 1S/C8H7ClO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11)
Inchi Key PBSUMBYSVFTMNG-UHFFFAOYSA-N
SMILES OC(=O)c1cccc(CCl)c1
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