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

• ChemBase ID: 267953
• 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/h5-7H,1-4H2
• InChIKey: UZTQYWLWRFMSSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-1,2,3,4-tetrahydronaphthalene
• IUPAC Traditional name: 2-bromo-5,6,7,8-tetrahydronaphthalene
• Synonyms: 6-bromo-1,2,3,4-tetrahydronaphthalene

Database IDs

• MDL Number: MFCD09842497
• PubChem SID: 164323863
• PubChem CID: 300030

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1942525
• LogD (pH = 7.4): 4.1942525
• Log P: 4.1942525
• Molar Refractivity: 51.163 cm^3
• Polarizability: 19.521265 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.577

Product Information

• Purity: 95%