4-chloro-8-fluoroquinazoline

• ChemBase ID: 292275
• Molecular Formular: C8H4ClFN2
• Molecular Mass: 182.5821632
• Monoisotopic Mass: 182.00470404
• SMILES: Fc1c2ncnc(Cl)c2ccc1
• Canonical SMILES: Fc1cccc2c1ncnc2Cl
• InChI: InChI=1S/C8H4ClFN2/c9-8-5-2-1-3-6(10)7(5)11-4-12-8/h1-4H
• InChIKey: PLGWYJGWORFSFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-8-fluoroquinazoline
• IUPAC Traditional name: 4-chloro-8-fluoroquinazoline
• Synonyms: 4-Chloro-8-fluoroquinazoline

Database IDs

• CAS Number: 124429-27-2
• PubChem SID: 180677806
• PubChem CID: 19939133

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3919864
• LogD (pH = 7.4): 2.3919864
• Log P: 2.3919864
• Molar Refractivity: 44.883 cm^3
• Polarizability: 17.667728 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%