2,4-dichloro-8-methoxyquinazoline

• ChemBase ID: 294140
• Molecular Formular: C9H6Cl2N2O
• Molecular Mass: 229.06274
• Monoisotopic Mass: 227.98571818
• SMILES: COc1cccc2c(Cl)nc(Cl)nc12
• Canonical SMILES: COc1cccc2c1nc(Cl)nc2Cl
• InChI: InChI=1S/C9H6Cl2N2O/c1-14-6-4-2-3-5-7(6)12-9(11)13-8(5)10/h2-4H,1H3
• InChIKey: DZNPOCHJCGTGCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-8-methoxyquinazoline
• IUPAC Traditional name: 2,4-dichloro-8-methoxyquinazoline
• Synonyms: 2,4-Dichloro-8-methoxyquinazoline

Database IDs

• CAS Number: 61948-60-5
• PubChem SID: 180679671
• PubChem CID: 10421331

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: 22.524555 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%