3,6-dichloropyridazine-4-carbonyl chloride

• ChemBase ID: 228862
• Molecular Formular: C5HCl3N2O
• Molecular Mass: 211.43324
• Monoisotopic Mass: 209.9154457
• SMILES: c1(c(nnc(c1)Cl)Cl)C(=O)Cl
• Canonical SMILES: Clc1nnc(c(c1)C(=O)Cl)Cl
• InChI: InChI=1S/C5HCl3N2O/c6-3-1-2(5(8)11)4(7)10-9-3/h1H
• InChIKey: UGKIAJNNQAMSHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dichloropyridazine-4-carbonyl chloride
• IUPAC Traditional name: 3,6-dichloropyridazine-4-carbonyl chloride
• Synonyms: 3,6-Dichloro-pyridazine-4-carbonyl chloride

Database IDs

• CAS Number: 6531-08-4
• MDL Number: MFCD06660563
• PubChem SID: 164284772
• PubChem CID: 81018

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6151597
• LogD (pH = 7.4): 1.6151597
• Log P: 1.6151597
• Molar Refractivity: 46.6113 cm^3
• Polarizability: 16.52545 Å^3
• Polar Surface Area: 42.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.285

Product Information

• Purity: 95%