2,4-dichloro-7-iodoquinazoline

• ChemBase ID: 287914
• Molecular Formular: C8H3Cl2IN2
• Molecular Mass: 324.93329
• Monoisotopic Mass: 323.87180147
• SMILES: Ic1cc2nc(Cl)nc(Cl)c2cc1
• Canonical SMILES: Ic1ccc2c(c1)nc(nc2Cl)Cl
• InChI: InChI=1S/C8H3Cl2IN2/c9-7-5-2-1-4(11)3-6(5)12-8(10)13-7/h1-3H
• InChIKey: OAZYTNLOQKCMDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-7-iodoquinazoline
• IUPAC Traditional name: 2,4-dichloro-7-iodoquinazoline
• Synonyms: 2,4-Dichloro-7-iodoquinazoline

Database IDs

• CAS Number: 959237-34-4
• PubChem SID: 180673445
• PubChem CID: 34176200

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.086779
• LogD (pH = 7.4): 4.086779
• Log P: 4.086779
• Molar Refractivity: 63.5277 cm^3
• Polarizability: 25.216686 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%