Trans,trans-4'-(4'-pentylbicyclohexyl-4-yl)-3,4-difluorobiphenyl

• CAS: 136609-96-6
• Catalog Number: ACM136609966
• Category: Other Products
• Molecular Weight: 424.6g/mol
• Molecular Formula: C29H38F2
• Synonyms: TRANS,TRANS-4''-(4''-PENTYLBICYCLOHEXYL-4-YL)-3,4-DIFLUOROBIPHENYL
• IUPAC Name: 1,2-difluoro-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]benzene
• Canonical SMILES: CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)C4=CC(=C(C=C4)F)F
• InChI: InChI=1S/C29H38F2/c1-2-3-4-5-21-6-8-22(9-7-21)23-10-12-24(13-11-23)25-14-16-26(17-15-25)27-18-19-28(30)29(31)20-27/h14-24H,2-13H2,1H3
• InChI Key: HRTSRDFZYBCCMA-UHFFFAOYSA-N
• Complexity: 495
• Covalently-Bonded Unit Count: 1
• Exact Mass: 424.294158g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 31
• Monoisotopic Mass: 424.294158g/mol
• Rotatable Bond Count: 7
• XLogP3: 11.2