(6-bromo-2,3-difluorophenyl)methanol

• ChemBase ID: 810621
• Molecular Formular: C7H5BrF2O
• Molecular Mass: 223.0148064
• Monoisotopic Mass: 221.94918322
• SMILES: C(O)c1c(c(ccc1Br)F)F
• Canonical SMILES: OCc1c(Br)ccc(c1F)F
• InChI: InChI=1S/C7H5BrF2O/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2,11H,3H2
• InChIKey: PQCCBLCCPKTSHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-bromo-2,3-difluorophenyl)methanol
• IUPAC Traditional name: (6-bromo-2,3-difluorophenyl)methanol
• Synonyms: 6-BROMO-2,3-DIFLUOROBENZENEMETHANOL

Database IDs

• CAS Number: 651326-72-6

CALCULATED PROPERTIES

• Acid pKa: 14.157796
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2600524
• LogD (pH = 7.4): 2.2600524
• Log P: 2.2600524
• Molar Refractivity: 40.9295 cm^3
• Polarizability: 15.368923 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%