Basic information
- CAS
81777-97-1- Standard SMILES
COC1ON(Cc2ccccc2Cl)C(=O)C1(C)C- InChIKey
MVJKTMXSQYKMNO-UHFFFAOYSA-N- Molecular formula
- C13H16ClNO3
- Average molar mass
- 269.72 g/mol
- Monoisotopic mass
- 269.0818711
Names & identifiers
- Preferred name
- 2-(2-Chlorobenzyl)-5-methoxy-4,4-dimethylisoxazolidin-3-one
- IUPAC
- 2-[(2-chlorophenyl)methyl]-5-methoxy-4,4-dimethyl-1,2-oxazolidin-3-one
Names & synonyms
81777-97-12-(2-chlorobenzyl)-5-methoxy-4,4-dimethylisoxazolidin-3-oneSCHEMBL11201979DTXSID705261412-[(2-chlorophenyl)methyl]-5-methoxy-4,4-dimethyl-1,2-oxazolidin-3-one
Database identifiers
- CAS
81777-97-1- PubChem CID
- 13192587
- DTXSID
DTXSID70526141
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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