dichloro-1,2,4-oxadiazole

• ChemBase ID: 806449
• Molecular Formular: C2Cl2N2O
• Molecular Mass: 138.9402
• Monoisotopic Mass: 137.93876799
• SMILES: o1nc(nc1Cl)Cl
• Canonical SMILES: Clc1onc(n1)Cl
• InChI: InChI=1S/C2Cl2N2O/c3-1-5-2(4)7-6-1
• InChIKey: MEQMSOHGNAUBMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro-1,2,4-oxadiazole
• IUPAC Traditional name: dichloro-1,2,4-oxadiazole
• Synonyms: 3,5-DICHLORO-1,2,4-OXADIAZOLE

Database IDs

• CAS Number: 37579-29-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4738363
• LogD (pH = 7.4): 1.4738363
• Log P: 1.4738363
• Molar Refractivity: 27.1986 cm^3
• Polarizability: 9.866878 Å^3
• Polar Surface Area: 38.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%