1,2-dibromonaphthalene

• ChemBase ID: 798170
• Molecular Formular: C10H6Br2
• Molecular Mass: 285.96264
• Monoisotopic Mass: 283.88362419
• SMILES: c1cc2c(cc1)ccc(c2Br)Br
• Canonical SMILES: Brc1ccc2c(c1Br)cccc2
• InChI: InChI=1S/C10H6Br2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H
• InChIKey: QGZAUMUFTXCDBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromonaphthalene
• IUPAC Traditional name: 1,2-dibromonaphthalene
• Synonyms: 1,2-dibromoNaphthalene

Database IDs

• CAS Number: 5438-13-1

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.500228
• LogD (pH = 7.4): 4.500228
• Log P: 4.500228
• Molar Refractivity: 57.7538 cm^3
• Polarizability: 23.347462 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%