3,4-dichloropyridazine

• ChemBase ID: 796610
• Molecular Formular: C4H2Cl2N2
• Molecular Mass: 148.97808
• Monoisotopic Mass: 147.95950343
• SMILES: n1nc(c(cc1)Cl)Cl
• Canonical SMILES: Clc1nnccc1Cl
• InChI: InChI=1S/C4H2Cl2N2/c5-3-1-2-7-8-4(3)6/h1-2H
• InChIKey: JADVVTZXHQUFLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dichloropyridazine
• IUPAC Traditional name: 3,4-dichloropyridazine
• Synonyms: 3,4-Dichloropyridazine

Database IDs

• CAS Number: 1677-80-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2040623
• LogD (pH = 7.4): 1.2040699
• Log P: 1.20407
• Molar Refractivity: 34.4353 cm^3
• Polarizability: 12.539264 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%