(2-bromo-3-iodophenyl)methanol

• ChemBase ID: 291657
• Molecular Formular: C7H6BrIO
• Molecular Mass: 312.93041
• Monoisotopic Mass: 311.86467481
• SMILES: OCc1cccc(I)c1Br
• Canonical SMILES: OCc1cccc(c1Br)I
• InChI: InChI=1S/C7H6BrIO/c8-7-5(4-10)2-1-3-6(7)9/h1-3,10H,4H2
• InChIKey: PRQUJNCOMDYCMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromo-3-iodophenyl)methanol
• IUPAC Traditional name: (2-bromo-3-iodophenyl)methanol
• Synonyms: (2-Bromo-3-iodophenyl)methanol

Database IDs

• CAS Number: 1261571-03-2
• MDL Number: MFCD11520410
• PubChem SID: 180677188
• PubChem CID: 70700250

CALCULATED PROPERTIES

• Acid pKa: 14.711872
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.903593
• LogD (pH = 7.4): 2.903593
• Log P: 2.903593
• Molar Refractivity: 53.8592 cm^3
• Polarizability: 21.073214 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%