[1-(2-bromophenyl)cyclopropyl]methanol

• ChemBase ID: 806831
• Molecular Formular: C10H11BrO
• Molecular Mass: 227.09774
• Monoisotopic Mass: 225.99932697
• SMILES: C(O)C1(CC1)c1c(cccc1)Br
• Canonical SMILES: OCC1(CC1)c1ccccc1Br
• InChI: InChI=1S/C10H11BrO/c11-9-4-2-1-3-8(9)10(7-12)5-6-10/h1-4,12H,5-7H2
• InChIKey: NTJQASZJHHURQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-bromophenyl)cyclopropyl]methanol
• IUPAC Traditional name: [1-(2-bromophenyl)cyclopropyl]methanol
• Synonyms: [1-(2-BROMO-PHENYL)-CYCLOPROPYL]-METHANOL

Database IDs

• CAS Number: 886366-19-4

CALCULATED PROPERTIES

• Polarizability: 20.272036 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 14.964053
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5425577
• LogD (pH = 7.4): 2.5425577
• Log P: 2.5425577
• Molar Refractivity: 52.3192 cm^3

PROPERTIES

Product Information

• Purity: 98%