1-bromo-3-methylnaphthalene

• ChemBase ID: 239013
• Molecular Formular: C11H9Br
• Molecular Mass: 221.09316
• Monoisotopic Mass: 219.98876229
• SMILES: c1(c2c(cc(c1)C)cccc2)Br
• Canonical SMILES: Cc1cc2ccccc2c(c1)Br
• InChI: InChI=1S/C11H9Br/c1-8-6-9-4-2-3-5-10(9)11(12)7-8/h2-7H,1H3
• InChIKey: ZZGLLXBRLJUZQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-3-methylnaphthalene
• IUPAC Traditional name: 1-bromo-3-methylnaphthalene
• Synonyms: 1-bromo-3-methylnaphthalene

Database IDs

• MDL Number: MFCD17012314
• PubChem SID: 164294923
• PubChem CID: 299127

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.2448964
• LogD (pH = 7.4): 4.2448964
• Log P: 4.2448964
• Molar Refractivity: 55.1722 cm^3
• Polarizability: 22.240273 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.678

Product Information

• Purity: 95%