1-(3-bromopropoxy)naphthalene

• ChemBase ID: 262026
• Molecular Formular: C13H13BrO
• Molecular Mass: 265.14572
• Monoisotopic Mass: 264.01497704
• SMILES: c12c(OCCCBr)cccc1cccc2
• Canonical SMILES: BrCCCOc1cccc2c1cccc2
• InChI: InChI=1S/C13H13BrO/c14-9-4-10-15-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2
• InChIKey: ICLUABGTJWXERF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-bromopropoxy)naphthalene
• IUPAC Traditional name: 1-(3-bromopropoxy)naphthalene
• Synonyms: 1-(3-bromopropoxy)naphthalene

Database IDs

• MDL Number: MFCD02030536
• PubChem SID: 164317936
• PubChem CID: 12959381

CALCULATED PROPERTIES

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.714996
• LogD (pH = 7.4): 3.714996
• Log P: 3.714996
• Molar Refractivity: 66.1636 cm^3
• Polarizability: 26.585142 Å^3
• Polar Surface Area: 9.23 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.296

Product Information

• Purity: 95%