4-chloro-6-fluoro-2-methylquinazoline

• ChemBase ID: 287832
• Molecular Formular: C9H6ClFN2
• Molecular Mass: 196.6087432
• Monoisotopic Mass: 196.0203541
• SMILES: Cc1nc(Cl)c2cc(F)ccc2n1
• Canonical SMILES: Fc1ccc2c(c1)c(Cl)nc(n2)C
• InChI: InChI=1S/C9H6ClFN2/c1-5-12-8-3-2-6(11)4-7(8)9(10)13-5/h2-4H,1H3
• InChIKey: GVNJOQDCIFAIOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6-fluoro-2-methylquinazoline
• IUPAC Traditional name: 4-chloro-6-fluoro-2-methylquinazoline
• Synonyms: 4-Chloro-6-fluoro-2-methylquinazoline

Database IDs

• CAS Number: 1044768-44-6
• MDL Number: MFCD11047031
• PubChem SID: 180673363
• PubChem CID: 24903867

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9472492
• LogD (pH = 7.4): 2.9472642
• Log P: 2.9472644
• Molar Refractivity: 49.5074 cm^3
• Polarizability: 19.41801 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%