1,7-dibromonaphthalene

• ChemBase ID: 798178
• Molecular Formular: C10H6Br2
• Molecular Mass: 285.96264
• Monoisotopic Mass: 283.88362419
• SMILES: c1(cc2c(cc1)cccc2Br)Br
• Canonical SMILES: Brc1ccc2c(c1)c(Br)ccc2
• InChI: InChI=1S/C10H6Br2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h1-6H
• InChIKey: LTFFDNPPMQALBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,7-dibromonaphthalene
• IUPAC Traditional name: 1,7-dibromonaphthalene
• Synonyms: 1,7-dibromoNaphthalene

Database IDs

• CAS Number: 58258-65-4

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: 23.341778 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%