2-bromo-1,2,3,4-tetrahydronaphthalene

• ChemBase ID: 268433
• Molecular Formular: C10H11Br
• Molecular Mass: 211.09834
• Monoisotopic Mass: 210.00441235
• SMILES: c12c(CCC(C1)Br)cccc2
• Canonical SMILES: BrC1CCc2c(C1)cccc2
• InChI: InChI=1S/C10H11Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2
• InChIKey: IBMAISVTUOJFGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-1,2,3,4-tetrahydronaphthalene
• IUPAC Traditional name: 2-bromo-1,2,3,4-tetrahydronaphthalene
• Synonyms: 2-bromo-1,2,3,4-tetrahydronaphthalene

Database IDs

• MDL Number: MFCD12152091
• PubChem SID: 164324343
• PubChem CID: 12887561

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5788686
• LogD (pH = 7.4): 3.5788686
• Log P: 3.5788686
• Molar Refractivity: 51.2442 cm^3
• Polarizability: 19.4285 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.687

Product Information

• Purity: 95%