1-bromo-4-(4-pentylphenyl)benzene

• ChemBase ID: 796699
• Molecular Formular: C17H19Br
• Molecular Mass: 303.23676
• Monoisotopic Mass: 302.06701261
• SMILES: c1(ccc(cc1)c1ccc(cc1)CCCCC)Br
• Canonical SMILES: CCCCCc1ccc(cc1)c1ccc(cc1)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
• InChIKey: VXJTWTJULLKDPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-(4-pentylphenyl)benzene
• IUPAC Traditional name: 1-bromo-4-(4-pentylphenyl)benzene
• Synonyms: 4-BroMo-4'-pentyl-1,1'-biphenyl

Database IDs

• CAS Number: 63619-59-0

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.6809196
• LogD (pH = 7.4): 6.6809196
• Log P: 6.6809196
• Molar Refractivity: 82.2622 cm^3
• Polarizability: 33.045635 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%