7-bromo-1,2,3,4-tetrahydronaphthalen-1-ol

• ChemBase ID: 797832
• Molecular Formular: C10H11BrO
• Molecular Mass: 227.09774
• Monoisotopic Mass: 225.99932697
• SMILES: c1(cc2c(cc1)CCCC2O)Br
• Canonical SMILES: Brc1ccc2c(c1)C(O)CCC2
• InChI: InChI=1S/C10H11BrO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6,10,12H,1-3H2
• InChIKey: SXVUISODQKZWFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-1,2,3,4-tetrahydronaphthalen-1-ol
• IUPAC Traditional name: 7-bromo-1,2,3,4-tetrahydronaphthalen-1-ol
• Synonyms: 7-Bromo-1,2,3,4-tetrahydro-naphthalen-1-ol

Database IDs

• CAS Number: 75693-15-1

CALCULATED PROPERTIES

• Acid pKa: 14.418818
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9634416
• LogD (pH = 7.4): 2.9634416
• Log P: 2.9634416
• Molar Refractivity: 52.6785 cm^3
• Polarizability: 20.26763 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%