4,6-dichloro-3-(3-chlorophenyl)pyridazine

• ChemBase ID: 15515
• Molecular Formular: C10H5Cl3N2
• Molecular Mass: 259.5191
• Monoisotopic Mass: 257.95183121
• SMILES: c1(c(cc(nn1)Cl)Cl)c1cc(ccc1)Cl
• Canonical SMILES: Clc1cccc(c1)c1nnc(cc1Cl)Cl
• InChI: InChI=1S/C10H5Cl3N2/c11-7-3-1-2-6(4-7)10-8(12)5-9(13)14-15-10/h1-5H
• InChIKey: XVJPVYRLVRCSKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dichloro-3-(3-chlorophenyl)pyridazine
• IUPAC Traditional name: 4,6-dichloro-3-(3-chlorophenyl)pyridazine
• Synonyms: 4,6-Dichloro-3-(3-chlorophenyl)pyridazine

Database IDs

• MDL Number: MFCD06800549
• PubChem SID: 160978822
• PubChem CID: 6991941

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: 25.222624 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%