4-((4-Ethyl-2,6-difluorphenyl)-ethinyl)-4'-propylbiphenyl

• CAS: 221526-72-3
• Catalog Number: ACM221526723
• Category: Other Products
• Molecular Weight: 360.4g/mol
• Molecular Formula: C25H22F2
• Synonyms: 4-((4-Ethyl-2,6-difluorphenyl)-ethinyl)-4′-propylbiphenyl;4-(4-ETHYL-2,6-DIFLUORO-PHENYLETHYNYL)-4''-PROPYL-BIPHENYL
• IUPAC Name: 5-ethyl-1,3-difluoro-2-[2-[4-(4-propylphenyl)phenyl]ethynyl]benzene
• Canonical SMILES: CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#CC3=C(C=C(C=C3F)CC)F
• InChI: InChI=1S/C25H22F2/c1-3-5-19-6-11-21(12-7-19)22-13-8-20(9-14-22)10-15-23-24(26)16-18(4-2)17-25(23)27/h6-9,11-14,16-17H,3-5H2,1-2H3
• InChI Key: BUVFXQQCFVZRSL-UHFFFAOYSA-N
• Complexity: 487
• Covalently-Bonded Unit Count: 1
• Exact Mass: 360.168957g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 27
• Monoisotopic Mass: 360.168957g/mol
• Rotatable Bond Count: 6
• XLogP3: 7.9