3-chloro-6-(2,5-dichlorophenyl)pyridazine

• ChemBase ID: 114231
• Molecular Formular: C10H5Cl3N2
• Molecular Mass: 259.5191
• Monoisotopic Mass: 257.95183121
• SMILES: c1(c2nnc(cc2)Cl)c(ccc(c1)Cl)Cl
• Canonical SMILES: Clc1ccc(nn1)c1cc(Cl)ccc1Cl
• InChI: InChI=1S/C10H5Cl3N2/c11-6-1-2-8(12)7(5-6)9-3-4-10(13)15-14-9/h1-5H
• InChIKey: SYJDFSHSCUTPMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-(2,5-dichlorophenyl)pyridazine
• IUPAC Traditional name: 3-chloro-6-(2,5-dichlorophenyl)pyridazine
• Synonyms: 3-chloro-6-(2,5-dichlorophenyl)pyridazine

Database IDs

• MDL Number: MFCD09881850
• PubChem SID: 162099386
• PubChem CID: 24252566

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8411899
• LogD (pH = 7.4): 3.8411903
• Log P: 3.8411903
• Molar Refractivity: 64.0043 cm^3
• Polarizability: 25.204103 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 5.049

Product Information

• Purity: 95+%