5-bromo-3-chloropyridazine

• ChemBase ID: 814393
• Molecular Formular: C4H2BrClN2
• Molecular Mass: 193.42908
• Monoisotopic Mass: 191.90898775
• SMILES: n1nc(cc(c1)Br)Cl
• Canonical SMILES: Brc1cnnc(c1)Cl
• InChI: InChI=1S/C4H2BrClN2/c5-3-1-4(6)8-7-2-3/h1-2H
• InChIKey: CTLXLNJWIQSHPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-3-chloropyridazine
• IUPAC Traditional name: 5-bromo-3-chloropyridazine
• Synonyms: 5-bromo-3-chloropyridazine

Database IDs

• CAS Number: 1196155-33-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3687772
• LogD (pH = 7.4): 1.3687779
• Log P: 1.3687779
• Molar Refractivity: 37.2533 cm^3
• Polarizability: 13.5938225 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%