2-bromo-1-cyclopropylethan-1-ol

• ChemBase ID: 310057
• Molecular Formular: C5H9BrO
• Molecular Mass: 165.02836
• Monoisotopic Mass: 163.98367691
• SMILES: C1(CC1)C(O)CBr
• Canonical SMILES: BrCC(C1CC1)O
• InChI: InChI=1S/C5H9BrO/c6-3-5(7)4-1-2-4/h4-5,7H,1-3H2
• InChIKey: YOMSZYTYIYJBSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-1-cyclopropylethan-1-ol
• IUPAC Traditional name: 2-bromo-1-cyclopropylethanol
• Synonyms: 2-bromo-1-cyclopropylethanol

Database IDs

• MDL Number: MFCD09908100

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.1717523
• LogD (pH = 7.4): 1.1717523
• Log P: 1.1717523
• Molar Refractivity: 32.2003 cm^3
• Polarizability: 12.683398 Å^3
• Polar Surface Area: 20.23 Å^2