3-bromo-6-chloropyridazine

• ChemBase ID: 66726
• Molecular Formular: C4H2BrClN2
• Molecular Mass: 193.42908
• Monoisotopic Mass: 191.90898775
• SMILES: c1(ccc(nn1)Cl)Br
• Canonical SMILES: Clc1ccc(nn1)Br
• InChI: InChI=1S/C4H2BrClN2/c5-3-1-2-4(6)8-7-3/h1-2H
• InChIKey: DXFKQNBEJIACSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-6-chloropyridazine
• IUPAC Traditional name: 3-bromo-6-chloropyridazine
• Synonyms: 3-Bromo-6-chloropyridazine

Database IDs

• CAS Number: 89089-18-9
• PubChem SID: 162032462
• PubChem CID: 45787477

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5742999
• LogD (pH = 7.4): 1.5742999
• Log P: 1.5742999
• Molar Refractivity: 38.0955 cm^3
• Polarizability: 13.642637 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%