4'-Cyano-3'-fluorophenyl-4-butylbenzoate

• CAS: 86776-52-5
• Catalog Number: ACM86776525
• Category: Other Products
• Molecular Weight: 297.3g/mol
• Molecular Formula: C18H16FNO2
• Synonyms: 4-Cyano-3-fluorophenyl 4-butylbenzoate
• IUPAC Name: (4-cyano-3-fluorophenyl) 4-butylbenzoate
• Canonical SMILES: CCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C#N)F
• 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
• InChI Key: IBUUMDHMTARCSQ-UHFFFAOYSA-N
• Complexity: 409
• Covalently-Bonded Unit Count: 1
• EC Number: 617-918-8
• Exact Mass: 297.116507g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 22
• Monoisotopic Mass: 297.116507g/mol
• Rotatable Bond Count: 6
• XLogP3: 5