Basic information
- CAS
81778-67-8- Standard SMILES
CCCOC1ON(Cc2ccccc2Cl)C(=O)C1(C)C- InChIKey
WMKOKZDCJOJNEL-UHFFFAOYSA-N- Molecular formula
- C15H20ClNO3
- Average molar mass
- 297.78 g/mol
- Monoisotopic mass
- 297.1131712
Names & identifiers
- Preferred name
- 2-(2-Chlorobenzyl)-4,4-dimethyl-5-propoxyisoxazolidin-3-one
- IUPAC
- 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-5-propoxy-1,2-oxazolidin-3-one
Names & synonyms
81778-67-82-(2-chlorobenzyl)-4,4-dimethyl-5-propoxyisoxazolidin-3-oneSCHEMBL11199410DTXSID705261462-[(2-Chlorophenyl)methyl]-4,4-dimethyl-5-propoxy-1,2-oxazolidin-3-one
Database identifiers
- CAS
81778-67-8- PubChem CID
- 13192599
- DTXSID
DTXSID70526146
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…