(1-bromo-2-phenylethyl)benzene

• ChemBase ID: 266231
• Molecular Formular: C14H13Br
• Molecular Mass: 261.15702
• Monoisotopic Mass: 260.02006242
• SMILES: C(Cc1ccccc1)(c1ccccc1)Br
• Canonical SMILES: BrC(c1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C14H13Br/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2
• InChIKey: TWPKIBFRKXFXRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-bromo-2-phenylethyl)benzene
• IUPAC Traditional name: (1-bromo-2-phenylethyl)benzene
• Synonyms: (1-bromo-2-phenylethyl)benzene

Database IDs

• MDL Number: MFCD02066377
• PubChem SID: 164322141
• PubChem CID: 12499711

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.8188844
• LogD (pH = 7.4): 4.8188844
• Log P: 4.8188844
• Molar Refractivity: 67.9462 cm^3
• Polarizability: 26.086294 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.871

Product Information

• Purity: 95%