4-bromopyridazine

• ChemBase ID: 806166
• Molecular Formular: C4H3BrN2
• Molecular Mass: 158.98402
• Monoisotopic Mass: 157.94796011
• SMILES: n1ncc(cc1)Br
• Canonical SMILES: Brc1ccnnc1
• InChI: InChI=1S/C4H3BrN2/c5-4-1-2-6-7-3-4/h1-3H
• InChIKey: BZJSAOCTEXRSME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromopyridazine
• IUPAC Traditional name: 4-bromopyridazine
• Synonyms: 4-BROMOPYRIDAZINE

Database IDs

• CAS Number: 115514-66-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.5444697
• LogD (pH = 7.4): 0.54455495
• Log P: 0.5445561
• Molar Refractivity: 31.3872 cm^3
• Polarizability: 11.51547 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%