1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene

• ChemBase ID: 272449
• Molecular Formular: C11H13Br
• Molecular Mass: 225.12492
• Monoisotopic Mass: 224.02006242
• SMILES: c12c(CCCC1CBr)cccc2
• Canonical SMILES: BrCC1CCCc2c1cccc2
• InChI: InChI=1S/C11H13Br/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-2,4,7,10H,3,5-6,8H2
• InChIKey: KALOJGOUZQSEGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
• IUPAC Traditional name: 1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
• Synonyms: 1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene

Database IDs

• MDL Number: MFCD16860588
• PubChem SID: 164328359
• PubChem CID: 13067239

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8938813
• LogD (pH = 7.4): 3.8938813
• Log P: 3.8938813
• Molar Refractivity: 55.975 cm^3
• Polarizability: 21.252768 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.086

Product Information

• Purity: 95%