3-(2,2,2-Trichloro-1-hydroxyethyl)-2,5-bis(trichloromethyl)-1,3-oxazolidin-4-one
Basic information
- CAS
89641-02-1- Standard SMILES
O=C1C(C(Cl)(Cl)Cl)OC(C(Cl)(Cl)Cl)N1C(O)C(Cl)(Cl)Cl- InChIKey
GBGLACKAEBTYTD-UHFFFAOYSA-N- Molecular formula
- C7H4Cl9NO3
- Average molar mass
- 469.2 g/mol
- Monoisotopic mass
- 464.738792
Names & identifiers
- Preferred name
- 3-(2,2,2-Trichloro-1-hydroxyethyl)-2,5-bis(trichloromethyl)-1,3-oxazolidin-4-one
- IUPAC
- 3-(2,2,2-trichloro-1-hydroxyethyl)-2,5-bis(trichloromethyl)-1,3-oxazolidin-4-one
Names & synonyms
89641-02-1NSC2203183-(2,2,2-trichloro-1-hydroxyethyl)-2,5-bis(trichloromethyl)-1,3-oxazolidin-4-oneDTXSID00307849NSC195326NSC-195326NSC-220318DS-0137593-(2,2,2-trichloro-1-hydroxy-ethyl)-2,5-bis(trichloromethyl)oxazolidin-4-one
Database identifiers
- CAS
89641-02-1- PubChem CID
- 304258
- DTXSID
DTXSID00307849
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 386
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Compound notes
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