(2-amino-6-bromophenyl)methanol

• ChemBase ID: 265906
• Molecular Formular: C7H8BrNO
• Molecular Mass: 202.04852
• Monoisotopic Mass: 200.97892588
• SMILES: c1(c(N)cccc1Br)CO
• Canonical SMILES: OCc1c(N)cccc1Br
• InChI: InChI=1S/C7H8BrNO/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4,9H2
• InChIKey: OGWBVTDYXWQJSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-amino-6-bromophenyl)methanol
• IUPAC Traditional name: (2-amino-6-bromophenyl)methanol
• Synonyms: (2-amino-6-bromophenyl)methanol

Database IDs

• MDL Number: MFCD11036299
• PubChem SID: 164321816
• PubChem CID: 18444467

CALCULATED PROPERTIES

• Acid pKa: 14.773548
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1451049
• LogD (pH = 7.4): 1.1457149
• Log P: 1.1457227
• Molar Refractivity: 45.1971 cm^3
• Polarizability: 16.77129 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 94 - 96°C
• Hydrophobicity(logP): 0.97

Product Information

• Purity: 95%