2-(1-bromoethyl)naphthalene

• ChemBase ID: 262007
• Molecular Formular: C12H11Br
• Molecular Mass: 235.11974
• Monoisotopic Mass: 234.00441235
• SMILES: c1(cc2c(cc1)cccc2)C(Br)C
• Canonical SMILES: CC(c1ccc2c(c1)cccc2)Br
• InChI: InChI=1S/C12H11Br/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,1H3
• InChIKey: ZUVXJTQVUPLBJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-bromoethyl)naphthalene
• IUPAC Traditional name: 2-(1-bromoethyl)naphthalene
• Synonyms: 2-(1-bromoethyl)naphthalene

Database IDs

• MDL Number: MFCD11180275
• PubChem SID: 164317917
• PubChem CID: 18678254

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1520348
• LogD (pH = 7.4): 4.1520348
• Log P: 4.1520348
• Molar Refractivity: 59.7774 cm^3
• Polarizability: 24.054323 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 62 - 64°C
• Hydrophobicity(logP): 4.627

Product Information

• Purity: 95%