2-(2-bromoethyl)naphthalene

• ChemBase ID: 274964
• Molecular Formular: C12H11Br
• Molecular Mass: 235.11974
• Monoisotopic Mass: 234.00441235
• SMILES: c12cc(ccc1cccc2)CCBr
• Canonical SMILES: BrCCc1ccc2c(c1)cccc2
• InChI: InChI=1S/C12H11Br/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9H,7-8H2
• InChIKey: DNJYJMDQLURVBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-bromoethyl)naphthalene
• IUPAC Traditional name: 2-(2-bromoethyl)naphthalene
• Synonyms: 2-(2-bromoethyl)naphthalene

Database IDs

• MDL Number: MFCD00152295
• PubChem SID: 164330874
• PubChem CID: 228270

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0241213
• LogD (pH = 7.4): 4.0241213
• Log P: 4.0241213
• Molar Refractivity: 60.1136 cm^3
• Polarizability: 23.975294 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 62 - 64°C
• Hydrophobicity(logP): 4.197

Product Information

• Purity: 95%