4-Chloro-2-methyl-5-(methylsulfonyl)benzoic acid

CAS Registry Number®

176309-00-5

CAS Name

4-Chloro-2-methyl-5-(methylsulfonyl)benzoic acid

Molecular Formula

C9H9ClO4S

Molecular Mass

248.68

Cite this Page

4-Chloro-2-methyl-5-(methylsulfonyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=176309-00-5 (retrieved 2024-11-26) (CAS RN: 176309-00-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H9ClO4S/c1-5-3-7(10)8(15(2,13)14)4-6(5)9(11)12/h3-4H,1-2H3,(H,11,12)

InChIKey

InChIKey=YGYZEHXIHONBML-UHFFFAOYSA-N

SMILES

S(C)(=O)(=O)C1=CC(C(O)=O)=C(C)C=C1Cl

Canonical SMILES

O=C(O)C1=CC(=C(Cl)C=C1C)S(=O)(=O)C

Other Names for this Substance

  • Benzoic acid, 4-chloro-2-methyl-5-(methylsulfonyl)-
  • 4-Chloro-2-methyl-5-(methylsulfonyl)benzoic acid
  • 2-Methyl-4-chloro-5-methyl-sulfonylbenzoic acid

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