4,7-dichloro-2-methylquinazoline

• ChemBase ID: 287477
• Molecular Formular: C9H6Cl2N2
• Molecular Mass: 213.06334
• Monoisotopic Mass: 211.99080356
• SMILES: Cc1nc(Cl)c2ccc(Cl)cc2n1
• Canonical SMILES: Clc1ccc2c(c1)nc(nc2Cl)C
• InChI: InChI=1S/C9H6Cl2N2/c1-5-12-8-4-6(10)2-3-7(8)9(11)13-5/h2-4H,1H3
• InChIKey: QPCQIVDMWQRGAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,7-dichloro-2-methylquinazoline
• IUPAC Traditional name: 4,7-dichloro-2-methylquinazoline
• Synonyms: 4,7-Dichloro-2-methylquinazoline

Database IDs

• CAS Number: 38154-43-7
• MDL Number: MFCD11044641
• PubChem SID: 180673008
• PubChem CID: 12244362

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3644626
• LogD (pH = 7.4): 3.3644814
• Log P: 3.3644817
• Molar Refractivity: 54.0958 cm^3
• Polarizability: 21.624828 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%