4,5-dichloro-1,3-dioxolan-2-one

• ChemBase ID: 106708
• Molecular Formular: C3H2Cl2O3
• Molecular Mass: 156.95218
• Monoisotopic Mass: 155.93809928
• SMILES: ClC1OC(=O)OC1Cl
• Canonical SMILES: ClC1OC(=O)OC1Cl
• InChI: InChI=1S/C3H2Cl2O3/c4-1-2(5)8-3(6)7-1/h1-2H
• InChIKey: BETICXVUVYXEJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dichloro-1,3-dioxolan-2-one
• IUPAC Traditional name: 4,5-dichloro-1,3-dioxolan-2-one
• Synonyms: 4,5-DICHLORO-1,3-DIOXOLAN-2-ONE

Database IDs

• CAS Number: 3967-55-3
• EC Number: 223-584-0
• PubChem SID: 162093143
• PubChem CID: 19869

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0293827
• LogD (pH = 7.4): 2.0293827
• Log P: 2.0293827
• Molar Refractivity: 26.202398 cm^3
• Polarizability: 11.102202 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: JH7400000