2-chloro-4-methoxyquinazoline

• ChemBase ID: 815876
• Molecular Formular: C9H7ClN2O
• Molecular Mass: 194.61768
• Monoisotopic Mass: 194.02469053
• SMILES: c1ccc2nc(nc(c2c1)OC)Cl
• Canonical SMILES: COc1nc(Cl)nc2c1cccc2
• InChI: InChI=1S/C9H7ClN2O/c1-13-8-6-4-2-3-5-7(6)11-9(10)12-8/h2-5H,1H3
• InChIKey: CIAADIPJOLLZFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-methoxyquinazoline
• IUPAC Traditional name: 2-chloro-4-methoxyquinazoline
• Synonyms: 4-METHOXY-2-CHLOROQUINAZOLINE

Database IDs

• CAS Number: 77767-98-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7703981
• LogD (pH = 7.4): 2.770399
• Log P: 2.770399
• Molar Refractivity: 51.0758 cm^3
• Polarizability: 20.56596 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%