4-Bromo-4'-butylbiphenyl

• CAS: 63619-54-5
• Catalog Number: ACM63619545
• Category: Bromine Series
• Molecular Weight: 289.21g/mol
• Molecular Formula: C16H17Br
• Synonyms: 4-Bromo-4'-butyl-1,1'-biphenyl;4-Butyl-4'-bromobiphenyl
• IUPAC Name: 1-bromo-4-(4-butylphenyl)benzene
• Canonical SMILES: CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)Br
• InChI: InChI=1S/C16H17Br/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15/h5-12H,2-4H2,1H3
• InChI Key: KAWPTSPOSZBAHH-UHFFFAOYSA-N
• Density: 1.221
• Complexity: 198
• Covalently-Bonded Unit Count: 1
• Exact Mass: 288.05136g/mol
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 17
• Monoisotopic Mass: 288.05136g/mol
• Rotatable Bond Count: 4
• XLogP3: 6