6-bromo-4-methoxyquinazoline

• ChemBase ID: 307349
• Molecular Formular: C9H7BrN2O
• Molecular Mass: 239.06868
• Monoisotopic Mass: 237.97417485
• SMILES: c12c(ncnc1ccc(c2)Br)OC
• Canonical SMILES: COc1ncnc2c1cc(Br)cc2
• InChI: InChI=1S/C9H7BrN2O/c1-13-9-7-4-6(10)2-3-8(7)11-5-12-9/h2-5H,1H3
• InChIKey: SCWYBXFJOPLSQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-4-methoxyquinazoline
• IUPAC Traditional name: 6-bromo-4-methoxyquinazoline
• Synonyms: 6-bromo-4-methoxyquinazoline

Database IDs

• CAS Number: 915924-79-7
• MDL Number: MFCD08691583

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6305428
• LogD (pH = 7.4): 2.6306007
• Log P: 2.6306014
• Molar Refractivity: 53.2 cm^3
• Polarizability: 21.319242 Å^3
• Polar Surface Area: 35.01 Å^2