2,4-dichloro-6-methoxyquinazoline

• ChemBase ID: 52672
• Molecular Formular: C9H6Cl2N2O
• Molecular Mass: 229.06274
• Monoisotopic Mass: 227.98571818
• SMILES: n1c(nc(c2cc(ccc12)OC)Cl)Cl
• Canonical SMILES: COc1ccc2c(c1)c(Cl)nc(n2)Cl
• InChI: InChI=1S/C9H6Cl2N2O/c1-14-5-2-3-7-6(4-5)8(10)13-9(11)12-7/h2-4H,1H3
• InChIKey: WEAMQTSRMCCGSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-methoxyquinazoline
• IUPAC Traditional name: 2,4-dichloro-6-methoxyquinazoline
• Synonyms: 2,4-Dichloro-6-methoxyquinazoline

Database IDs

• CAS Number: 105763-77-7
• MDL Number: MFCD09954880
• PubChem SID: 162057435
• PubChem CID: 9991397

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0001636
• LogD (pH = 7.4): 3.0001636
• Log P: 3.0001636
• Molar Refractivity: 56.6284 cm^3
• Polarizability: 22.518755 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%