4,5-dichloro-2-(2,4-difluorophenyl)-2,3-dihydropyridazin-3-one

• ChemBase ID: 258315
• Molecular Formular: C10H4Cl2F2N2O
• Molecular Mass: 277.0543664
• Monoisotopic Mass: 275.96687456
• SMILES: n1(c(=O)c(c(cn1)Cl)Cl)c1c(cc(cc1)F)F
• Canonical SMILES: Fc1ccc(c(c1)F)n1ncc(c(c1=O)Cl)Cl
• InChI: InChI=1S/C10H4Cl2F2N2O/c11-6-4-15-16(10(17)9(6)12)8-2-1-5(13)3-7(8)14/h1-4H
• InChIKey: NRYDLGQEIIBOIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dichloro-2-(2,4-difluorophenyl)-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 4,5-dichloro-2-(2,4-difluorophenyl)pyridazin-3-one
• Synonyms: 4,5-dichloro-2-(2,4-difluorophenyl)pyridazin-3(2H)-one

Database IDs

• MDL Number: MFCD09051393
• PubChem SID: 164314225
• PubChem CID: 16778903

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.935637
• LogD (pH = 7.4): 2.935637
• Log P: 2.935637
• Molar Refractivity: 60.6506 cm^3
• Polarizability: 22.02833 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 173 - 175°C
• Hydrophobicity(logP): 2.338

Product Information

• Purity: 95%