7-fluoroquinazolin-4-ol

• ChemBase ID: 812448
• Molecular Formular: C8H5FN2O
• Molecular Mass: 164.1365032
• Monoisotopic Mass: 164.03859101
• SMILES: c1c(cc2ncnc(c2c1)O)F
• Canonical SMILES: Fc1ccc2c(c1)ncnc2O
• InChI: InChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12)
• InChIKey: KCORZHJVTZIZFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoroquinazolin-4-ol
• IUPAC Traditional name: 7-fluoroquinazolin-4-ol
• Synonyms: 7-FLUOROQUINAZOLIN-4-OL

Database IDs

• CAS Number: 16499-57-3

CALCULATED PROPERTIES

• Acid pKa: 12.611171
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8586549
• LogD (pH = 7.4): 1.858654
• Log P: 1.8586566
• Molar Refractivity: 41.3113 cm^3
• Polarizability: 16.321367 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%