Basic information
- CAS
81778-50-9- Standard SMILES
CC(=O)OC1ON(Cc2ccccc2Cl)C(=O)C1(C)C- InChIKey
PMTWWRFMLUUOGB-UHFFFAOYSA-N- Molecular formula
- C14H16ClNO4
- Average molar mass
- 297.73 g/mol
- Monoisotopic mass
- 297.0767857
Names & identifiers
- Preferred name
- 2-[(2-Chlorophenyl)methyl]-4,4-dimethyl-3-oxo-1,2-oxazolidin-5-yl acetate
- IUPAC
- [2-[(2-chlorophenyl)methyl]-4,4-dimethyl-3-oxo-1,2-oxazolidin-5-yl] acetate
Names & synonyms
81778-50-92-(2-Chlorobenzyl)-4,4-dimethyl-3-oxoisoxazolidin-5-yl acetateDTXSID505261442-[(2-Chlorophenyl)methyl]-4,4-dimethyl-3-oxo-1,2-oxazolidin-5-yl acetate
Database identifiers
- CAS
81778-50-9- PubChem CID
- 13192591
- DTXSID
DTXSID50526144
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…