2-(4-bromophenyl)naphthalene

• ChemBase ID: 798131
• Molecular Formular: C16H11Br
• Molecular Mass: 283.16254
• Monoisotopic Mass: 282.00441235
• SMILES: c1cc2c(cc1)ccc(c2)c1ccc(cc1)Br
• Canonical SMILES: Brc1ccc(cc1)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C16H11Br/c17-16-9-7-13(8-10-16)15-6-5-12-3-1-2-4-14(12)11-15/h1-11H
• InChIKey: SAODOTSIOILVSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromophenyl)naphthalene
• IUPAC Traditional name: 2-(4-bromophenyl)naphthalene
• Synonyms: 2-(4-bromophenyl)Naphthalene

Database IDs

• CAS Number: 22082-99-1

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: 31.447472 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%