6,8-dibromo-2-methylquinazolin-4-ol

• ChemBase ID: 815575
• Molecular Formular: C9H6Br2N2O
• Molecular Mass: 317.96474
• Monoisotopic Mass: 315.88468682
• SMILES: c1(cc(c2nc(nc(c2c1)O)C)Br)Br
• Canonical SMILES: Brc1cc(Br)c2c(c1)c(O)nc(n2)C
• InChI: InChI=1S/C9H6Br2N2O/c1-4-12-8-6(9(14)13-4)2-5(10)3-7(8)11/h2-3H,1H3,(H,12,13,14)
• InChIKey: GLUZDYXMGASJAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-dibromo-2-methylquinazolin-4-ol
• IUPAC Traditional name: 6,8-dibromo-2-methylquinazolin-4-ol
• Synonyms: 6,8-dibromo-2-methylquinazolin-4-ol

Database IDs

• CAS Number: 82326-77-0

CALCULATED PROPERTIES

• Acid pKa: 12.601062
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.8331215
• LogD (pH = 7.4): 3.8331192
• Log P: 3.8331218
• Molar Refractivity: 60.9649 cm^3
• Polarizability: 24.191494 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%