3-methoxy-6-phenylpyridazine

• ChemBase ID: 795821
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: n1nc(ccc1c1ccccc1)OC
• Canonical SMILES: COc1ccc(nn1)c1ccccc1
• InChI: InChI=1S/C11H10N2O/c1-14-11-8-7-10(12-13-11)9-5-3-2-4-6-9/h2-8H,1H3
• InChIKey: NZEKNUOVEYRUFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-6-phenylpyridazine
• IUPAC Traditional name: 3-methoxy-6-phenylpyridazine
• Synonyms: 3-Methoxy-6-phenylpyridazine

Database IDs

• CAS Number: 4578-42-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2456553
• LogD (pH = 7.4): 2.2456653
• Log P: 2.2456653
• Molar Refractivity: 55.3053 cm^3
• Polarizability: 22.051054 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%