2,3,3-trichlorooxolane

• ChemBase ID: 59385
• Molecular Formular: C4H5Cl3O
• Molecular Mass: 175.4409
• Monoisotopic Mass: 173.94059782
• SMILES: O1C(C(CC1)(Cl)Cl)Cl
• Canonical SMILES: ClC1OCCC1(Cl)Cl
• InChI: InChI=1S/C4H5Cl3O/c5-3-4(6,7)1-2-8-3/h3H,1-2H2
• InChIKey: OPMAAFQNIDDDAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,3-trichlorooxolane
• IUPAC Traditional name: 2,3,3-trichlorooxolane
• Synonyms: 2,3,3-Trichlorotetrahydrofuran

Database IDs

• MDL Number: MFCD00142778
• PubChem SID: 162064148
• PubChem CID: 554227

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6203587
• LogD (pH = 7.4): 2.6203587
• Log P: 2.6203587
• Molar Refractivity: 34.5678 cm^3
• Polarizability: 13.829808 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false