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

• ChemBase ID: 810619
• Molecular Formular: C7H7F2NO
• Molecular Mass: 159.1333864
• Monoisotopic Mass: 159.04957029
• SMILES: C(O)c1c(c(ccc1N)F)F
• Canonical SMILES: OCc1c(N)ccc(c1F)F
• InChI: InChI=1S/C7H7F2NO/c8-5-1-2-6(10)4(3-11)7(5)9/h1-2,11H,3,10H2
• InChIKey: GWSVVTULQNFWAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 144298-16-8

CALCULATED PROPERTIES

• Acid pKa: 14.353516
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.66226435
• LogD (pH = 7.4): 0.6623725
• Log P: 0.66237396
• Molar Refractivity: 38.0071 cm^3
• Polarizability: 13.422649 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%