5-fluoro-1-benzofuran-7-ol

• ChemBase ID: 810602
• Molecular Formular: C8H5FO2
• Molecular Mass: 152.1225032
• Monoisotopic Mass: 152.02735762
• SMILES: o1ccc2cc(cc(c12)O)F
• Canonical SMILES: Fc1cc(O)c2c(c1)cco2
• InChI: InChI=1S/C8H5FO2/c9-6-3-5-1-2-11-8(5)7(10)4-6/h1-4,10H
• InChIKey: WUXXSCOCIVMVEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-1-benzofuran-7-ol
• IUPAC Traditional name: 5-fluoro-1-benzofuran-7-ol
• Synonyms: 5-FLUORO-7-HYDROXYBENZOFURAN

Database IDs

• CAS Number: 246029-02-7

CALCULATED PROPERTIES

• Acid pKa: 6.5346956
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9335124
• LogD (pH = 7.4): 1.078183
• Log P: 1.9715059
• Molar Refractivity: 37.0964 cm^3
• Polarizability: 14.980705 Å^3
• Polar Surface Area: 33.37 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%