Benzoic acid, 4-chloro-, 4-fluorophenyl ester

CAS Registry Number®

29558-88-1

CAS Name

Benzoic acid, 4-chloro-, 4-fluorophenyl ester

Molecular Formula

C13H8ClFO2

Molecular Mass

250.65

Cite this Page

Benzoic acid, 4-chloro-, 4-fluorophenyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29558-88-1 (retrieved 2024-11-22) (CAS RN: 29558-88-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    94-95 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C13H8ClFO2/c14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12/h1-8H

InChIKey

InChIKey=QFOOQWZABMLXPS-UHFFFAOYSA-N

SMILES

C(OC1=CC=C(F)C=C1)(=O)C2=CC=C(Cl)C=C2

Canonical SMILES

O=C(OC1=CC=C(F)C=C1)C2=CC=C(Cl)C=C2

Other Names for this Substance

  • Benzoic acid, 4-chloro-, 4-fluorophenyl ester
  • Benzoic acid, p-chloro-, p-fluorophenyl ester
  • Phenol, p-fluoro-, p-chlorobenzoate

CAS INSIGHTSTM
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