2,4-dichloro-6-methylquinazoline

• ChemBase ID: 802355
• Molecular Formular: C9H6Cl2N2
• Molecular Mass: 213.06334
• Monoisotopic Mass: 211.99080356
• SMILES: c1(ccc2nc(nc(c2c1)Cl)Cl)C
• Canonical SMILES: Cc1ccc2c(c1)c(Cl)nc(n2)Cl
• InChI: InChI=1S/C9H6Cl2N2/c1-5-2-3-7-6(4-5)8(10)13-9(11)12-7/h2-4H,1H3
• InChIKey: VZDVVLXYAOVNRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-methylquinazoline
• IUPAC Traditional name: 2,4-dichloro-6-methylquinazoline
• Synonyms: 2,4-DICHLORO-6-METHYLQUINAZOLINE

Database IDs

• CAS Number: 39576-82-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.671256
• LogD (pH = 7.4): 3.671256
• Log P: 3.671256
• Molar Refractivity: 55.2064 cm^3
• Polarizability: 21.747625 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%