3,4,6-tribromopyridazine

• ChemBase ID: 289691
• Molecular Formular: C4HBr3N2
• Molecular Mass: 316.77614
• Monoisotopic Mass: 313.76898404
• SMILES: Brc1nnc(Br)c(Br)c1
• Canonical SMILES: Brc1nnc(c(c1)Br)Br
• InChI: InChI=1S/C4HBr3N2/c5-2-1-3(6)8-9-4(2)7/h1H
• InChIKey: ZRPHMOREEBHHIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4,6-tribromopyridazine
• IUPAC Traditional name: 3,4,6-tribromopyridazine
• Synonyms: 3,4,6-Tribromopyridazine

Database IDs

• CAS Number: 55928-86-4
• PubChem SID: 180675222
• PubChem CID: 57345829

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4931054
• LogD (pH = 7.4): 2.4931054
• Log P: 2.4931054
• Molar Refractivity: 48.3172 cm^3
• Polarizability: 18.069422 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%