3,6-dichloro-4-iodopyridazine

• ChemBase ID: 801354
• Molecular Formular: C4HCl2IN2
• Molecular Mass: 274.87461
• Monoisotopic Mass: 273.8561514
• SMILES: n1nc(c(cc1Cl)I)Cl
• Canonical SMILES: Clc1nnc(c(c1)I)Cl
• InChI: InChI=1S/C4HCl2IN2/c5-3-1-2(7)4(6)9-8-3/h1H
• InChIKey: DOZGQZSLDJZZMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dichloro-4-iodopyridazine
• IUPAC Traditional name: 3,6-dichloro-4-iodopyridazine
• Synonyms: 3,6-DICHLORO-4-IODOPYRIDAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3531916
• LogD (pH = 7.4): 2.3531916
• Log P: 2.3531916
• Molar Refractivity: 48.8591 cm^3
• Polarizability: 18.075481 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%