2-[(2-Fluorophenyl)thio]-5-nitrobenzoic acid

CAS Registry Number®

73129-13-2
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CAS Name

2-[(2-Fluorophenyl)thio]-5-nitrobenzoic acid

Molecular Formula

C13H8FNO4S

Molecular Mass

293.27

Cite this Page

2-[(2-Fluorophenyl)thio]-5-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=73129-13-2 (retrieved 2024-08-30) (CAS RN: 73129-13-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    237-238 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C13H8FNO4S/c14-10-3-1-2-4-12(10)20-11-6-5-8(15(18)19)7-9(11)13(16)17/h1-7H,(H,16,17)

InChIKey

InChIKey=WEEHNBNVAYPJQS-UHFFFAOYSA-N

SMILES

S(C1=C(C(O)=O)C=C(N(=O)=O)C=C1)C2=C(F)C=CC=C2

Canonical SMILES

O=C(O)C1=CC(=CC=C1SC=2C=CC=CC2F)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 2-[(2-fluorophenyl)thio]-5-nitro-
  • 2-[(2-Fluorophenyl)thio]-5-nitrobenzoic acid
  • 2-[(2-Fluorophenyl)sulfanyl]-5-nitrobenzoic acid