3,6-dichloro-4,5-dimethylpyridazine

• ChemBase ID: 798790
• Molecular Formular: C6H6Cl2N2
• Molecular Mass: 177.03124
• Monoisotopic Mass: 175.99080356
• SMILES: n1nc(c(c(c1Cl)C)C)Cl
• Canonical SMILES: Cc1c(Cl)nnc(c1C)Cl
• InChI: InChI=1S/C6H6Cl2N2/c1-3-4(2)6(8)10-9-5(3)7/h1-2H3
• InChIKey: RUVVGCRPPJVNMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dichloro-4,5-dimethylpyridazine
• IUPAC Traditional name: 3,6-dichloro-4,5-dimethylpyridazine
• Synonyms: 3,6-dichloro-4,5-dimethylpyridazine

Database IDs

• CAS Number: 34584-69-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4510896
• LogD (pH = 7.4): 2.4510899
• Log P: 2.4510899
• Molar Refractivity: 45.579 cm^3
• Polarizability: 16.05003 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%