3,4-dichloro-5-methoxypyridazine

• ChemBase ID: 796191
• Molecular Formular: C5H4Cl2N2O
• Molecular Mass: 179.00406
• Monoisotopic Mass: 177.97006812
• SMILES: n1nc(c(c(c1)OC)Cl)Cl
• Canonical SMILES: COc1cnnc(c1Cl)Cl
• InChI: InChI=1S/C5H4Cl2N2O/c1-10-3-2-8-9-5(7)4(3)6/h2H,1H3
• InChIKey: OVZWGIFIQJWITB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dichloro-5-methoxypyridazine
• IUPAC Traditional name: 3,4-dichloro-5-methoxypyridazine
• Synonyms: 3,4-Dichloro-5-Methoxypyridazine

Database IDs

• CAS Number: 63910-32-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0463827
• LogD (pH = 7.4): 1.0463985
• Log P: 1.0463988
• Molar Refractivity: 40.8985 cm^3
• Polarizability: 15.123602 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%