Benzoic acid, 4-heptyl-, 4-cyano-3-fluorophenyl ester

CAS Registry Number®

86776-54-7

CAS Name

Benzoic acid, 4-heptyl-, 4-cyano-3-fluorophenyl ester

Molecular Formula

C21H22FNO2

Molecular Mass

339.40

Cite this Page

Benzoic acid, 4-heptyl-, 4-cyano-3-fluorophenyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=86776-54-7 (retrieved 2024-11-28) (CAS RN: 86776-54-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H22FNO2/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)21(24)25-19-13-12-18(15-23)20(22)14-19/h8-14H,2-7H2,1H3

InChIKey

InChIKey=BJTUQNRKEMWBHS-UHFFFAOYSA-N

SMILES

C(OC1=CC(F)=C(C#N)C=C1)(=O)C2=CC=C(CCCCCCC)C=C2

Canonical SMILES

N#CC1=CC=C(OC(=O)C2=CC=C(C=C2)CCCCCCC)C=C1F

Other Names for this Substance

  • Benzoic acid, 4-heptyl-, 4-cyano-3-fluorophenyl ester
  • 4-Cyano-3-fluorophenyl 4-heptylbenzoate
  • FCHB

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