3,6-dichloro-4-phenylpyridazine

• ChemBase ID: 796022
• Molecular Formular: C10H6Cl2N2
• Molecular Mass: 225.07404
• Monoisotopic Mass: 223.99080356
• SMILES: n1nc(c(cc1Cl)c1ccccc1)Cl
• Canonical SMILES: Clc1nnc(c(c1)c1ccccc1)Cl
• InChI: InChI=1S/C10H6Cl2N2/c11-9-6-8(10(12)14-13-9)7-4-2-1-3-5-7/h1-6H
• InChIKey: QEANUHPTLLPFPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 41373-96-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0714724
• LogD (pH = 7.4): 3.0714724
• Log P: 3.0714724
• Molar Refractivity: 60.6328 cm^3
• Polarizability: 23.38847 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%