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

CAS Registry Number®

86776-52-5
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CAS Name

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

Molecular Formula

C18H16FNO2

Molecular Mass

297.32

Cite this Page

Benzoic acid, 4-butyl-, 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=86776-52-5 (retrieved 2024-06-17) (CAS RN: 86776-52-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H16FNO2/c1-2-3-4-13-5-7-14(8-6-13)18(21)22-16-10-9-15(12-20)17(19)11-16/h5-11H,2-4H2,1H3

InChIKey

InChIKey=IBUUMDHMTARCSQ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-butyl-, 4-cyano-3-fluorophenyl ester
  • 4-Cyano-3-fluorophenyl 4-butylbenzoate
  • 3-Fluoro-4-cyanophenyl 4-butylbenzoate
  • ME 4N.F
  • 4-BEB(F)-C

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