3,5-dibromopyridazine

• ChemBase ID: 287678
• Molecular Formular: C4H2Br2N2
• Molecular Mass: 237.88008
• Monoisotopic Mass: 235.85847207
• SMILES: Brc1cnnc(Br)c1
• Canonical SMILES: Brc1cnnc(c1)Br
• InChI: InChI=1S/C4H2Br2N2/c5-3-1-4(6)8-7-2-3/h1-2H
• InChIKey: DRNLOOKBPHONSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromopyridazine
• IUPAC Traditional name: 3,5-dibromopyridazine
• Synonyms: 3,5-Dibromopyridazine

Database IDs

• CAS Number: 1196155-35-7
• MDL Number: MFCD13190294
• PubChem SID: 180673209
• PubChem CID: 44182336

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5188302
• LogD (pH = 7.4): 1.5188307
• Log P: 1.5188307
• Molar Refractivity: 39.8522 cm^3
• Polarizability: 14.759449 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%