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CAS 86776-51-4

:

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

Description:
Benzoic acid, 4-propyl-, 4-cyano-3-fluorophenyl ester, identified by its CAS number 86776-51-4, is an organic compound characterized by its ester functional group, which is formed from the reaction of benzoic acid and an alcohol. This compound features a propyl group and a cyano group, as well as a fluorine atom attached to a phenyl ring, contributing to its unique chemical properties. The presence of the cyano group enhances its reactivity, making it useful in various synthetic applications, while the fluorine atom can influence its polarity and solubility. Typically, esters like this one exhibit moderate volatility and can be soluble in organic solvents. The compound may also display interesting biological activities, making it a subject of interest in medicinal chemistry. Its structural complexity allows for potential applications in pharmaceuticals, agrochemicals, and materials science. As with many organic compounds, safety data should be consulted to understand its handling and potential hazards.
Formula:C17H14FNO2
InChI:InChI=1/C17H14FNO2/c1-2-3-11-4-7-14(17(20)21)15(8-11)12-5-6-13(10-19)16(18)9-12/h4-9H,2-3H2,1H3,(H,20,21)/p-1
InChI key:InChIKey=RDPCRVRASQOZBX-UHFFFAOYSA-N
SMILES:C(OC1=CC(F)=C(C#N)C=C1)(=O)C2=CC=C(CCC)C=C2
Synonyms:
  • 3-BEB(F)-C
  • ME 3N.F
  • 3-Fluoro-4-cyanophenyl 4-propylbenzoate
  • Benzoic acid, 4-propyl-, 4-cyano-3-fluorophenyl ester
  • PZG-3-N
  • 3-Fluoro-4-cyanophenyl 4-n-propylbenzoate
  • ME-3NF
  • 4-propylbenzoic acid 4-cyano-3-fluorinePhenyl ester
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