3-chloro-6-(2,4-difluorophenyl)pyridazine

• ChemBase ID: 114241
• Molecular Formular: C10H5ClF2N2
• Molecular Mass: 226.6099064
• Monoisotopic Mass: 226.01093229
• SMILES: c1(c(cc(cc1)F)F)c1nnc(cc1)Cl
• Canonical SMILES: Clc1ccc(nn1)c1ccc(cc1F)F
• InChI: InChI=1S/C10H5ClF2N2/c11-10-4-3-9(14-15-10)7-2-1-6(12)5-8(7)13/h1-5H
• InChIKey: HFWHCLVXWRWUDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-(2,4-difluorophenyl)pyridazine
• IUPAC Traditional name: 3-chloro-6-(2,4-difluorophenyl)pyridazine
• Synonyms: 3-chloro-6-(2,4-difluorophenyl)pyridazine

Database IDs

• MDL Number: MFCD12143132
• PubChem SID: 162100606
• PubChem CID: 13573461

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9185045
• LogD (pH = 7.4): 2.918505
• Log P: 2.918505
• Molar Refractivity: 54.8275 cm^3
• Polarizability: 20.824974 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 4.171

Product Information

• Purity: 95+%