3-(3-chloro-5-methoxyphenyl)-6-methoxypyridazine

• ChemBase ID: 796724
• Molecular Formular: C12H11ClN2O2
• Molecular Mass: 250.68094
• Monoisotopic Mass: 250.05090528
• SMILES: n1nc(ccc1OC)c1cc(cc(c1)OC)Cl
• Canonical SMILES: COc1ccc(nn1)c1cc(Cl)cc(c1)OC
• InChI: InChI=1S/C12H11ClN2O2/c1-16-10-6-8(5-9(13)7-10)11-3-4-12(17-2)15-14-11/h3-7H,1-2H3
• InChIKey: KZINEEPMPXVCMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-chloro-5-methoxyphenyl)-6-methoxypyridazine
• IUPAC Traditional name: 3-(3-chloro-5-methoxyphenyl)-6-methoxypyridazine
• Synonyms: 3-(3-Chloro-5-Methoxyphenyl)-6-Methoxypyridazine

Database IDs

• CAS Number: 1333222-19-7

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6920319
• LogD (pH = 7.4): 2.6920388
• Log P: 2.6920388
• Molar Refractivity: 66.5733 cm^3
• Polarizability: 26.401499 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%