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

• CAS: 86776-50-3
• Catalog Number: ACM86776503
• Category: Other Products
• Molecular Weight: 269.27g/mol
• Molecular Formula: C16H12FNO2
• Synonyms: 4-Cyano-3-fluorophenyl-4-ethylbenzoate;3-Fluoro-4-cyanophenyl 4-ethylbenzoate
• IUPAC Name: (4-cyano-3-fluorophenyl) 4-ethylbenzoate
• 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: 1
• Exact Mass: 269.085207g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 20
• Monoisotopic Mass: 269.085207g/mol
• Rotatable Bond Count: 4
• XLogP3: 3.9