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

CAS Registry Number®

118939-18-7
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CAS Name

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

Molecular Formula

C9H9FO4S

Molecular Mass

232.23

Cite this Page

3-Fluoro-2-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=118939-18-7 (retrieved 2024-08-17) (CAS RN: 118939-18-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H9FO4S/c1-5-6(9(11)12)3-4-7(8(5)10)15(2,13)14/h3-4H,1-2H3,(H,11,12)

InChIKey

InChIKey=AMTWIUHPASHZQO-UHFFFAOYSA-N

SMILES

S(C)(=O)(=O)C1=C(F)C(C)=C(C(O)=O)C=C1

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3-fluoro-2-methyl-4-(methylsulfonyl)-
  • 3-Fluoro-2-methyl-4-(methylsulfonyl)benzoic acid
  • 3-Fluoro-4-methanesulfonyl-2-methylbenzoic acid