(3-bromo-1-phenylpropyl)benzene

• ChemBase ID: 296055
• Molecular Formular: C15H15Br
• Molecular Mass: 275.1836
• Monoisotopic Mass: 274.03571248
• SMILES: c1ccc(cc1)C(CCBr)c1ccccc1
• Canonical SMILES: BrCCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H15Br/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2
• InChIKey: SLHSRCBFPHCSGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-bromo-1-phenylpropyl)benzene
• IUPAC Traditional name: (3-bromo-1-phenylpropyl)benzene
• Synonyms: 1-Bromo-3,3-diphenylpropane; 1-溴-3,3-联苯基丙烷

Database IDs

• CAS Number: 20017-68-9
• EC Number: 243-467-8
• MDL Number: MFCD00044829
• PubChem SID: 180681586
• PubChem CID: 88333

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.9000363
• LogD (pH = 7.4): 4.9000363
• Log P: 4.9000363
• Molar Refractivity: 72.908 cm^3
• Polarizability: 27.91968 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 39-42°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 99%