4-bromo-3,6-dichloropyridazine

• ChemBase ID: 289510
• Molecular Formular: C4HBrCl2N2
• Molecular Mass: 227.87414
• Monoisotopic Mass: 225.8700154
• SMILES: Clc1nnc(Cl)c(Br)c1
• Canonical SMILES: Clc1nnc(c(c1)Br)Cl
• InChI: InChI=1S/C4HBrCl2N2/c5-2-1-3(6)8-9-4(2)7/h1H
• InChIKey: XAXKZIUQIROVNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-3,6-dichloropyridazine
• IUPAC Traditional name: 4-bromo-3,6-dichloropyridazine
• Synonyms: 4-Bromo-3,6-dichloropyridazine

Database IDs

• CAS Number: 10344-42-0
• MDL Number: MFCD11848418
• PubChem SID: 180675041
• PubChem CID: 22030648

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1929998
• LogD (pH = 7.4): 2.1929998
• Log P: 2.1929998
• Molar Refractivity: 43.1194 cm^3
• Polarizability: 15.684419 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%