4,6-dichloro-2-methylquinazoline

• ChemBase ID: 294437
• Molecular Formular: C9H6Cl2N2
• Molecular Mass: 213.06334
• Monoisotopic Mass: 211.99080356
• SMILES: Cc1nc(Cl)c2cc(Cl)ccc2n1
• Canonical SMILES: Clc1ccc2c(c1)c(Cl)nc(n2)C
• InChI: InChI=1S/C9H6Cl2N2/c1-5-12-8-3-2-6(10)4-7(8)9(11)13-5/h2-4H,1H3
• InChIKey: RKICQFNPYTWKSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 338739-44-9
• MDL Number: MFCD09909699
• PubChem SID: 180679968
• PubChem CID: 21088272

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3644674
• LogD (pH = 7.4): 3.3644817
• Log P: 3.3644817
• Molar Refractivity: 54.0958 cm^3
• Polarizability: 21.618793 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%