3-methoxy-6-(4-methoxyphenyl)pyridazine

• ChemBase ID: 796912
• Molecular Formular: C12H12N2O2
• Molecular Mass: 216.23588
• Monoisotopic Mass: 216.08987763
• SMILES: n1nc(ccc1c1ccc(cc1)OC)OC
• Canonical SMILES: COc1ccc(cc1)c1ccc(nn1)OC
• InChI: InChI=1S/C12H12N2O2/c1-15-10-5-3-9(4-6-10)11-7-8-12(16-2)14-13-11/h3-8H,1-2H3
• InChIKey: MGFVBMZKYVEROA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-6-(4-methoxyphenyl)pyridazine
• IUPAC Traditional name: 3-methoxy-6-(4-methoxyphenyl)pyridazine
• Synonyms: 3-Methoxy-6-(4-Methoxyphenyl)pyridazine

Database IDs

• CAS Number: 242802-84-2

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0879812
• LogD (pH = 7.4): 2.0879939
• Log P: 2.087994
• Molar Refractivity: 61.7685 cm^3
• Polarizability: 24.538345 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%