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

• ChemBase ID: 283012
• Molecular Formular: C10H5ClF2N2O
• Molecular Mass: 242.6093064
• Monoisotopic Mass: 242.00584691
• SMILES: n1nc(Cl)ccc1Oc1c(cc(cc1)F)F
• Canonical SMILES: Clc1ccc(nn1)Oc1ccc(cc1F)F
• InChI: InChI=1S/C10H5ClF2N2O/c11-9-3-4-10(15-14-9)16-8-2-1-6(12)5-7(8)13/h1-5H
• InChIKey: XZDWBNZOBBQJMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD02946319
• PubChem SID: 180668543
• PubChem CID: 581464

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9801738
• LogD (pH = 7.4): 2.9801738
• Log P: 2.9801738
• Molar Refractivity: 56.6176 cm^3
• Polarizability: 20.371346 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 113 - 115°C
• Hydrophobicity(logP): 2.464

Product Information

• Purity: 95%