1-(1-bromoethyl)naphthalene

• ChemBase ID: 262206
• Molecular Formular: C12H11Br
• Molecular Mass: 235.11974
• Monoisotopic Mass: 234.00441235
• SMILES: c1(c2c(ccc1)cccc2)C(Br)C
• Canonical SMILES: CC(c1cccc2c1cccc2)Br
• InChI: InChI=1S/C12H11Br/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,1H3
• InChIKey: QWECYQJPMOAXMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11180306
• PubChem SID: 164318116
• PubChem CID: 11172378

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: 24.055054 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 36 - 38°C
• Hydrophobicity(logP): 4.627

Product Information

• Purity: 95%