2-Chloro-3-methyl-4-(methylsulfonyl)benzoic acid

CAS Registry Number®

106904-09-0
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CAS Name

2-Chloro-3-methyl-4-(methylsulfonyl)benzoic acid

Molecular Formula

C9H9ClO4S

Molecular Mass

248.68

Cite this Page

2-Chloro-3-methyl-4-(methylsulfonyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=106904-09-0 (retrieved 2024-08-17) (CAS RN: 106904-09-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=RRFGGUXLGOVPOP-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 2-chloro-3-methyl-4-(methylsulfonyl)-
  • 2-Chloro-3-methyl-4-(methylsulfonyl)benzoic acid
  • 2-Chloro-3-methyl-4-methylsulfonylbenzoic acid
  • 2-Chloro-4-methanesulfonyl-3-methylbenzoic acid
  • 2-Chloro-3-methyl-4-methanesulfonyl benzoic acid