2-bromo-3-iodonaphthalene

• ChemBase ID: 15989
• Molecular Formular: C10H6BrI
• Molecular Mass: 332.96311
• Monoisotopic Mass: 331.86976019
• SMILES: c1ccc2c(c1)cc(c(c2)I)Br
• Canonical SMILES: Brc1cc2ccccc2cc1I
• InChI: InChI=1S/C10H6BrI/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H
• InChIKey: QDLAABKFYZVHOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3-iodonaphthalene
• IUPAC Traditional name: 2-bromo-3-iodonaphthalene
• Synonyms: 2-Bromo-3-iodonaphthalene

Database IDs

• CAS Number: 102153-44-6
• MDL Number: MFCD06656515
• PubChem SID: 160979296
• PubChem CID: 11174977

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.6604195
• LogD (pH = 7.4): 4.6604195
• Log P: 4.6604195
• Molar Refractivity: 63.4935 cm^3
• Polarizability: 25.697844 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%