2-chloro-7-fluoroquinazoline

• ChemBase ID: 52663
• Molecular Formular: C8H4ClFN2
• Molecular Mass: 182.5821632
• Monoisotopic Mass: 182.00470404
• SMILES: c1c(cc2c(c1)cnc(n2)Cl)F
• Canonical SMILES: Fc1ccc2c(c1)nc(nc2)Cl
• InChI: InChI=1S/C8H4ClFN2/c9-8-11-4-5-1-2-6(10)3-7(5)12-8/h1-4H
• InChIKey: FRAVNDLHGCORAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-7-fluoroquinazoline
• IUPAC Traditional name: 2-chloro-7-fluoroquinazoline
• Synonyms: 2-Chloro-7-fluoroquinazoline

Database IDs

• CAS Number: 956101-10-3
• MDL Number: MFCD11518968
• PubChem SID: 162057426
• PubChem CID: 21073978

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4763145
• LogD (pH = 7.4): 2.4763148
• Log P: 2.4763148
• Molar Refractivity: 44.5155 cm^3
• Polarizability: 17.714258 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: 98%