4-chloro-7-fluoro-2-methylquinazoline

• ChemBase ID: 287834
• Molecular Formular: C9H6ClFN2
• Molecular Mass: 196.6087432
• Monoisotopic Mass: 196.0203541
• SMILES: Cc1nc(Cl)c2ccc(F)cc2n1
• Canonical SMILES: Fc1ccc2c(c1)nc(nc2Cl)C
• InChI: InChI=1S/C9H6ClFN2/c1-5-12-8-4-6(11)2-3-7(8)9(10)13-5/h2-4H,1H3
• InChIKey: GYITXAMUKYQIFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-7-fluoro-2-methylquinazoline
• IUPAC Traditional name: 4-chloro-7-fluoro-2-methylquinazoline
• Synonyms: 4-Chloro-7-fluoro-2-methylquinazoline

Database IDs

• CAS Number: 1206694-32-7
• MDL Number: MFCD12024899
• PubChem SID: 180673365
• PubChem CID: 46835432

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.947226
• LogD (pH = 7.4): 2.947264
• Log P: 2.9472644
• Molar Refractivity: 49.5074 cm^3
• Polarizability: 19.418245 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%