5-Methyl-2-(trichloromethyl)-1,3-oxazolan-4-one
Basic information
- CAS
89182-44-5- Standard SMILES
CC1OC(C(Cl)(Cl)Cl)NC1=O- InChIKey
POJOLBZNOBOLAH-UHFFFAOYSA-N- Molecular formula
- C5H6Cl3NO2
- Average molar mass
- 218.46 g/mol
- Monoisotopic mass
- 216.946412
Names & identifiers
- Preferred name
- 5-Methyl-2-(trichloromethyl)-1,3-oxazolan-4-one
- IUPAC
- 5-methyl-2-(trichloromethyl)-1,3-oxazolidin-4-one
Names & synonyms
5-methyl-2-(trichloromethyl)-1,3-oxazolidin-4-one5-methyl-2-(trichloromethyl)-1,3-oxazolan-4-one89182-44-5NSC202022DTXSID90308087NSC-202022DS-0090105-methyl-2-(trichloromethyl)oxazolidin-4-one
Database identifiers
- CAS
89182-44-5- PubChem CID
- 305262
- DTXSID
DTXSID90308087
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 179
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Compound notes
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