1,2-bis(bromomethyl)naphthalene

• ChemBase ID: 289815
• Molecular Formular: C12H10Br2
• Molecular Mass: 314.0158
• Monoisotopic Mass: 311.91492432
• SMILES: BrCc1ccc2ccccc2c1CBr
• Canonical SMILES: BrCc1c(CBr)ccc2c1cccc2
• InChI: InChI=1S/C12H10Br2/c13-7-10-6-5-9-3-1-2-4-11(9)12(10)8-14/h1-6H,7-8H2
• InChIKey: FONHMGXRXCPGMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-bis(bromomethyl)naphthalene
• IUPAC Traditional name: 1,2-bis(bromomethyl)naphthalene
• Synonyms: 1,2-Bis(bromomethyl)naphthalene

Database IDs

• CAS Number: 59882-98-3
• PubChem SID: 180675346
• PubChem CID: 3403551

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5081973
• LogD (pH = 7.4): 4.5081973
• Log P: 4.5081973
• Molar Refractivity: 68.209 cm^3
• Polarizability: 26.781363 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%