4-Cyano-3,5-difluorophenyl 4-pentyl-benzoate

• CAS: 123843-69-6
• Catalog Number: ACM123843696
• Category: Other Products
• Molecular Weight: 329.3g/mol
• Molecular Formula: C19H17F2NO2
• Synonyms: 4-CYANO-3,5-DIFLUOROPHENYL 4-PENTYL-BENZOATE
• IUPAC Name: (4-cyano-3,5-difluorophenyl) 4-pentylbenzoate
• Canonical SMILES: CCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C(=C2)F)C#N)F
• InChI: InChI=1S/C19H17F2NO2/c1-2-3-4-5-13-6-8-14(9-7-13)19(23)24-15-10-17(20)16(12-22)18(21)11-15/h6-11H,2-5H2,1H3
• InChI Key: ZSDURCFSQJERPJ-UHFFFAOYSA-N
• Complexity: 442
• Covalently-Bonded Unit Count: 1
• Exact Mass: 329.122735g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Heavy Atom Count: 24
• Monoisotopic Mass: 329.122735g/mol
• Rotatable Bond Count: 7
• XLogP3: 5.7