2,4-dichloro-5-iodoquinazoline

• ChemBase ID: 289726
• Molecular Formular: C8H3Cl2IN2
• Molecular Mass: 324.93329
• Monoisotopic Mass: 323.87180147
• SMILES: Ic1cccc2nc(Cl)nc(Cl)c12
• Canonical SMILES: Clc1nc2cccc(c2c(n1)Cl)I
• InChI: InChI=1S/C8H3Cl2IN2/c9-7-6-4(11)2-1-3-5(6)12-8(10)13-7/h1-3H
• InChIKey: WHHOKNBNQDBGEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-5-iodoquinazoline
• IUPAC Traditional name: 2,4-dichloro-5-iodoquinazoline
• Synonyms: 2,4-Dichloro-5-iodoquinazoline

Database IDs

• CAS Number: 959237-30-0
• MDL Number: MFCD09954871
• PubChem SID: 180675257
• PubChem CID: 34176198

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: 25.225016 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%