3-(bromomethyl)-6-chloropyridazine

• ChemBase ID: 288890
• Molecular Formular: C5H4BrClN2
• Molecular Mass: 207.45566
• Monoisotopic Mass: 205.92463782
• SMILES: Clc1ccc(CBr)nn1
• Canonical SMILES: Clc1ccc(nn1)CBr
• InChI: InChI=1S/C5H4BrClN2/c6-3-4-1-2-5(7)9-8-4/h1-2H,3H2
• InChIKey: GVXWGEMPRMESSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(bromomethyl)-6-chloropyridazine
• IUPAC Traditional name: 3-(bromomethyl)-6-chloropyridazine
• Synonyms: 3-(Bromomethyl)-6-chloropyridazine

Database IDs

• CAS Number: 859161-48-1
• PubChem SID: 180674421
• PubChem CID: 23080925

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4542338
• LogD (pH = 7.4): 1.4542345
• Log P: 1.4542345
• Molar Refractivity: 41.9587 cm^3
• Polarizability: 15.280685 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%