1-bromo-4-phenylnaphthalene

• ChemBase ID: 288108
• Molecular Formular: C16H11Br
• Molecular Mass: 283.16254
• Monoisotopic Mass: 282.00441235
• SMILES: Brc1c2ccccc2c(c2ccccc2)cc1
• Canonical SMILES: Brc1ccc(c2c1cccc2)c1ccccc1
• InChI: InChI=1S/C16H11Br/c17-16-11-10-13(12-6-2-1-3-7-12)14-8-4-5-9-15(14)16/h1-11H
• InChIKey: ZARGVWJSXZDKRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-phenylnaphthalene
• IUPAC Traditional name: 1-bromo-4-phenylnaphthalene
• Synonyms: 1-Bromo-4-phenylnaphthalene

Database IDs

• CAS Number: 59951-65-4
• MDL Number: MFCD17012346
• PubChem SID: 180673639
• PubChem CID: 12275025

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.3787007
• LogD (pH = 7.4): 5.3787007
• Log P: 5.3787007
• Molar Refractivity: 75.2672 cm^3
• Polarizability: 31.45477 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%