4-chloro-8-iodoquinazoline

• ChemBase ID: 289731
• Molecular Formular: C8H4ClIN2
• Molecular Mass: 290.48823
• Monoisotopic Mass: 289.91077382
• SMILES: Ic1cccc2c(Cl)ncnc12
• Canonical SMILES: Ic1cccc2c1ncnc2Cl
• InChI: InChI=1S/C8H4ClIN2/c9-8-5-2-1-3-6(10)7(5)11-4-12-8/h1-4H
• InChIKey: JMEUDFPLOIQUOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 125096-73-3
• PubChem SID: 180675262
• PubChem CID: 14397531

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1782281
• LogD (pH = 7.4): 3.1782289
• Log P: 3.1782289
• Molar Refractivity: 58.0291 cm^3
• Polarizability: 23.133978 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%