2-(3-bromopropyl)naphthalene

• ChemBase ID: 242997
• Molecular Formular: C13H13Br
• Molecular Mass: 249.14632
• Monoisotopic Mass: 248.02006242
• SMILES: c12cc(ccc1cccc2)CCCBr
• Canonical SMILES: BrCCCc1ccc2c(c1)cccc2
• InChI: InChI=1S/C13H13Br/c14-9-3-4-11-7-8-12-5-1-2-6-13(12)10-11/h1-2,5-8,10H,3-4,9H2
• InChIKey: QDPDBXUSKFKXGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-bromopropyl)naphthalene
• IUPAC Traditional name: 2-(3-bromopropyl)naphthalene
• Synonyms: 2-(3-bromopropyl)naphthalene

Database IDs

• MDL Number: MFCD09744330
• PubChem SID: 164298907
• PubChem CID: 11817529

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: 25.815962 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%