Basic information
- CAS
81778-48-5- Standard SMILES
CC1(C)CON(Cc2ccc(Cl)cc2)C1=O- InChIKey
XDJDFJFLEIEKIF-UHFFFAOYSA-N- Molecular formula
- C12H14ClNO2
- Average molar mass
- 239.7 g/mol
- Monoisotopic mass
- 239.0713064
Names & identifiers
- Preferred name
- 2-[(4-Chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
- IUPAC
- 2-[(4-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
Names & synonyms
81778-48-52-(4-Chlorobenzyl)-4,4-dimethylisoxazolidin-3-one2-[(4-Chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-oneSCHEMBL2352063DTXSID50526129
Database identifiers
- CAS
81778-48-5- PubChem CID
- 13192574
- DTXSID
DTXSID50526129
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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