1-bromo-4-chloronaphthalene

• ChemBase ID: 246955
• Molecular Formular: C10H6BrCl
• Molecular Mass: 241.51164
• Monoisotopic Mass: 239.93413987
• SMILES: c12c(c(ccc1Br)Cl)cccc2
• Canonical SMILES: Brc1ccc(c2c1cccc2)Cl
• InChI: InChI=1S/C10H6BrCl/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
• InChIKey: WUGJECZACFHDFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-chloronaphthalene
• IUPAC Traditional name: 1-bromo-4-chloronaphthalene
• Synonyms: 1-bromo-4-chloronaphthalene

Database IDs

• MDL Number: MFCD00971829
• PubChem SID: 164302865
• PubChem CID: 3745562

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.33552
• LogD (pH = 7.4): 4.33552
• Log P: 4.33552
• Molar Refractivity: 54.9358 cm^3
• Polarizability: 22.389673 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 62 - 64°C
• Hydrophobicity(logP): 4.892

Product Information

• Purity: 95%