1-(3-bromopropyl)naphthalene

• ChemBase ID: 276927
• Molecular Formular: C13H13Br
• Molecular Mass: 249.14632
• Monoisotopic Mass: 248.02006242
• SMILES: c12c(cccc1cccc2)CCCBr
• Canonical SMILES: BrCCCc1cccc2c1cccc2
• InChI: InChI=1S/C13H13Br/c14-10-4-8-12-7-3-6-11-5-1-2-9-13(11)12/h1-3,5-7,9H,4,8,10H2
• InChIKey: YPDLRSZRTOATJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16824790
• PubChem SID: 164332837
• PubChem CID: 14711519

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.46869
• LogD (pH = 7.4): 4.46869
• Log P: 4.46869
• Molar Refractivity: 64.7146 cm^3
• Polarizability: 25.816578 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.726

Product Information

• Purity: 95%