1-(4-bromophenyl)naphthalene

• ChemBase ID: 795847
• Molecular Formular: C16H11Br
• Molecular Mass: 283.16254
• Monoisotopic Mass: 282.00441235
• SMILES: c1cc2c(cc1)cccc2c1ccc(cc1)Br
• Canonical SMILES: Brc1ccc(cc1)c1cccc2c1cccc2
• InChI: InChI=1S/C16H11Br/c17-14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H
• InChIKey: YRPIGRRBBMFFBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-bromophenyl)naphthalene
• IUPAC Traditional name: 1-(4-bromophenyl)naphthalene
• Synonyms: 1-(4-BroMophenyl)naphthalene

Database IDs

• CAS Number: 204530-94-9

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: 31.449602 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%