3-(Chlorosulfonyl)-4-fluoro-5-methylbenzoic acid

CAS Registry Number®

1242339-88-3
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CAS Name

3-(Chlorosulfonyl)-4-fluoro-5-methylbenzoic acid

Molecular Formula

C8H6ClFO4S

Molecular Mass

252.65

Cite this Page

3-(Chlorosulfonyl)-4-fluoro-5-methylbenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1242339-88-3 (retrieved 2024-09-08) (CAS RN: 1242339-88-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C8H6ClFO4S/c1-4-2-5(8(11)12)3-6(7(4)10)15(9,13)14/h2-3H,1H3,(H,11,12)

InChIKey

InChIKey=LJWWWHXBINZZCP-UHFFFAOYSA-N

SMILES

S(Cl)(=O)(=O)C1=CC(C(O)=O)=CC(C)=C1F

Canonical SMILES

O=C(O)C=1C=C(C(F)=C(C1)S(=O)(=O)Cl)C

Other Names for this Substance

  • Benzoic acid, 3-(chlorosulfonyl)-4-fluoro-5-methyl-
  • 3-(Chlorosulfonyl)-4-fluoro-5-methylbenzoic acid