2-[[(4-Fluorophenyl)thio]methyl]benzoic acid

CAS Registry Number®

728-98-3
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CAS Name

2-[[(4-Fluorophenyl)thio]methyl]benzoic acid

Molecular Formula

C14H11FO2S

Molecular Mass

262.30

Cite this Page

2-[[(4-Fluorophenyl)thio]methyl]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=728-98-3 (retrieved 2024-07-28) (CAS RN: 728-98-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H11FO2S/c15-11-5-7-12(8-6-11)18-9-10-3-1-2-4-13(10)14(16)17/h1-8H,9H2,(H,16,17)

InChIKey

InChIKey=XJBDIPONICNNAX-UHFFFAOYSA-N

SMILES

C(SC1=CC=C(F)C=C1)C2=C(C(O)=O)C=CC=C2

Canonical SMILES

O=C(O)C=1C=CC=CC1CSC2=CC=C(F)C=C2

Other Names for this Substance

  • Benzoic acid, 2-[[(4-fluorophenyl)thio]methyl]-
  • o-Toluic acid, α-[(p-fluorophenyl)thio]-
  • 2-[[(4-Fluorophenyl)thio]methyl]benzoic acid
  • 2-[[(4-Fluorophenyl)sulfanyl]methyl]benzoic acid