3-Fluoro-4-cyanophenyl-4'-ethylbenzoate

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Catalog Number

ACM86776503

Product Name

Structure

CAS

86776-50-3

Category

Heterocyclic Organic Compound

Synonyms

4-Cyano-3-fluorophenyl-4-ethylbenzoate;3-Fluoro-4-cyanophenyl 4-ethylbenzoate

IUPAC Name

(4-cyano-3-fluorophenyl) 4-ethylbenzoate

Molecular Weight

269.27g/mol

Molecular Formula

C16H12FNO2

Canonical SMILES

CCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C#N)F

InChI

InChI=1S/C16H12FNO2/c1-2-11-3-5-12(6-4-11)16(19)20-14-8-7-13(10-18)15(17)9-14/h3-9H,2H2,1H3

InChI Key

CDXMJQJMSJCJLU-UHFFFAOYSA-N

Complexity

381

Covalently-Bonded Unit Count

Exact Mass

269.085207g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

269.085207g/mol

Rotatable Bond Count

XLogP3

3.9

MSDS

COA

Spec Sheet

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