4-chloro-5-iodoquinazoline

• ChemBase ID: 248993
• Molecular Formular: C8H4ClIN2
• Molecular Mass: 290.48823
• Monoisotopic Mass: 289.91077382
• SMILES: c12c(ncnc2cccc1I)Cl
• Canonical SMILES: Ic1cccc2c1c(Cl)ncn2
• InChI: InChI=1S/C8H4ClIN2/c9-8-7-5(10)2-1-3-6(7)11-4-12-8/h1-4H
• InChIKey: POVZXUXXHZSCRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-5-iodoquinazoline
• IUPAC Traditional name: 4-chloro-5-iodoquinazoline
• Synonyms: 4-chloro-5-iodoquinazoline

Database IDs

• MDL Number: MFCD09954864
• PubChem SID: 164304903
• PubChem CID: 34176171

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1782262
• LogD (pH = 7.4): 3.1782289
• Log P: 3.1782289
• Molar Refractivity: 58.0291 cm^3
• Polarizability: 23.129671 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.956

Product Information

• Purity: 95%