3-chloro-6-(chloromethyl)pyridazine

• ChemBase ID: 289342
• Molecular Formular: C5H4Cl2N2
• Molecular Mass: 163.00466
• Monoisotopic Mass: 161.9751535
• SMILES: ClCc1ccc(Cl)nn1
• Canonical SMILES: ClCc1ccc(nn1)Cl
• InChI: InChI=1S/C5H4Cl2N2/c6-3-4-1-2-5(7)9-8-4/h1-2H,3H2
• InChIKey: XWFUSBPVIYJBML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-(chloromethyl)pyridazine
• IUPAC Traditional name: 3-chloro-6-(chloromethyl)pyridazine
• Synonyms: 3-Chloro-6-(chloromethyl)pyridazine

Database IDs

• CAS Number: 120276-59-7
• PubChem SID: 180674873
• PubChem CID: 22498639

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2687386
• LogD (pH = 7.4): 1.2687392
• Log P: 1.2687392
• Molar Refractivity: 38.9752 cm^3
• Polarizability: 14.2584305 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%