2,6-dibromonaphthalene-1,5-diol

• ChemBase ID: 798655
• Molecular Formular: C10H6Br2O2
• Molecular Mass: 317.96144
• Monoisotopic Mass: 315.87345343
• SMILES: c1cc2c(c(c1Br)O)ccc(c2O)Br
• Canonical SMILES: Oc1c(Br)ccc2c1ccc(c2O)Br
• InChI: InChI=1S/C10H6Br2O2/c11-7-3-1-5-6(10(7)14)2-4-8(12)9(5)13/h1-4,13-14H
• InChIKey: GHJUWGHWJYULLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dibromonaphthalene-1,5-diol
• IUPAC Traditional name: 2,6-dibromonaphthalene-1,5-diol
• Synonyms: 2,6-dibromoNaphthalene-1,5-diol

Database IDs

• CAS Number: 84-59-3

CALCULATED PROPERTIES

• Acid pKa: 7.3515773
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.887056
• LogD (pH = 7.4): 3.5265198
• Log P: 3.8930972
• Molar Refractivity: 61.7156 cm^3
• Polarizability: 24.743862 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%