4-Bromo-4'-Pentylbiphenyl

• Catalog Number: ACM63619590
• Product Name: 4-Bromo-4'-Pentylbiphenyl
• CAS: 63619-59-0
• Category: Bromine Series
• Synonyms: 4-Bromo-4'-Pentyl-1,1'-Biphenyl
• IUPAC Name: 1-bromo-4-(4-pentylphenyl)benzene
• Molecular Weight: 303.2
• Molecular Formula: C17H19Br
• Canonical SMILES: CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)Br
• InChI: InChI=1S/C17H19Br/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h6-13H,2-5H2,1H3
• InChI Key: VXJTWTJULLKDPY-UHFFFAOYSA-N
• Boiling Point: 200-202 ºC
• Melting Point: 98 ºC
• Complexity: 210
• Covalently-Bonded Unit Count: 1
• Exact Mass: 302.06701g/mol
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 18
• Monoisotopic Mass: 302.06701g/mol
• Rotatable Bond Count: 5
• XLogP3: 6.4