Basic information
- CAS
81189-95-9- Standard SMILES
O=C1CC(Cl)(CC(Cl)(Cl)Cl)O1- InChIKey
BVWKKDBTTFIKCM-UHFFFAOYSA-N- Molecular formula
- C5H4Cl4O2
- Average molar mass
- 237.9 g/mol
- Monoisotopic mass
- 235.89654009
Names & identifiers
- Preferred name
- 4-Chloro-4-(2,2,2-trichloroethyl)oxetan-2-one
- IUPAC
- 4-chloro-4-(2,2,2-trichloroethyl)oxetan-2-one
Names & synonyms
4-Chloro-4-(2,2,2-trichloroethyl)oxetan-2-one81189-95-9DTXSID90424998RefChem:291698DTXCID103758324-chloro-4-(2,2,2-trichloroethyl)-oxetan-2-oneSCHEMBL2762794BVWKKDBTTFIKCM-UHFFFAOYSA-N4-Chloro-4-(2,2,2-trichloro-ethyl)-oxetan-2-one
Database identifiers
- CAS
81189-95-9- PubChem CID
- 6605260
- DTXSID
DTXSID90424998
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 187
Related reactions
5 records
Compound notes
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