tetrachloropyridazine

• ChemBase ID: 91308
• Molecular Formular: C4Cl4N2
• Molecular Mass: 217.8682
• Monoisotopic Mass: 215.88155873
• SMILES: n1nc(c(c(c1Cl)Cl)Cl)Cl
• Canonical SMILES: Clc1c(Cl)nnc(c1Cl)Cl
• InChI: InChI=1S/C4Cl4N2/c5-1-2(6)4(8)10-9-3(1)7
• InChIKey: XTKMAPVHLBPKPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrachloropyridazine
• IUPAC Traditional name: tetrachloropyridazine
• Synonyms: Tetrachloropyridazine

Database IDs

• CAS Number: 20074-67-3
• MDL Number: MFCD00233940
• PubChem SID: 162078012
• PubChem CID: 251028

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6323364
• LogD (pH = 7.4): 2.6323364
• Log P: 2.6323364
• Molar Refractivity: 45.1062 cm^3
• Polarizability: 16.659048 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 87-89°C