3-(bromomethyl)pyridazine

• ChemBase ID: 87300
• Molecular Formular: C5H5BrN2
• Molecular Mass: 173.0106
• Monoisotopic Mass: 171.96361017
• SMILES: n1nc(ccc1)CBr
• Canonical SMILES: BrCc1cccnn1
• InChI: InChI=1S/C5H5BrN2/c6-4-5-2-1-3-7-8-5/h1-3H,4H2
• InChIKey: CEBUNOCBCPXDNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 60023-36-1
• PubChem SID: 162074410
• PubChem CID: 21535200

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6299122
• LogD (pH = 7.4): 0.63001144
• Log P: 0.6300127
• Molar Refractivity: 36.0926 cm^3
• Polarizability: 13.210567 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%