4-chloro-2-methylquinazoline

• ChemBase ID: 68155
• Molecular Formular: C9H7ClN2
• Molecular Mass: 178.61828
• Monoisotopic Mass: 178.02977591
• SMILES: n1c(nc(c2ccccc12)Cl)C
• Canonical SMILES: Cc1nc2ccccc2c(n1)Cl
• InChI: InChI=1S/C9H7ClN2/c1-6-11-8-5-3-2-4-7(8)9(10)12-6/h2-5H,1H3
• InChIKey: HAAZMOAXEMIBAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-methylquinazoline
• IUPAC Traditional name: 4-chloro-2-methylquinazoline
• Synonyms: 4-Chloro-2-methylquinazoline

Database IDs

• CAS Number: 6484-24-8
• MDL Number: MFCD05666292
• PubChem SID: 162033887
• PubChem CID: 2785421

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8001761
• LogD (pH = 7.4): 2.8002923
• Log P: 2.8002937
• Molar Refractivity: 49.291 cm^3
• Polarizability: 19.75652 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 93%; 95+%