4-BUTYL-4'-IODOBIPHENYL

• CAS: 199982-02-0
• Catalog Number: ACM199982020
• Category: Other Products
• Molecular Weight: 336.21
• Molecular Formula: C16H17I
• Synonyms: 1-Butyl-4-(4-Iodophenyl)Benzene
• IUPAC Name: 1-butyl-4-(4-iodophenyl)benzene
• Canonical SMILES: CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)I
• InChI: InChI=1S/C16H17I/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: KTEKHPDWAMYUBP-UHFFFAOYSA-N
• Melting Point: 118-122 ºC
• Density: 1.385 g/ml
• Complexity: 198
• Covalently-Bonded Unit Count: 1
• Exact Mass: 336.0375g/mol
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 17
• Monoisotopic Mass: 336.0375g/mol
• Rotatable Bond Count: 4
• XLogP3: 6.1