Basic information
- CAS
81778-55-4- Standard SMILES
CC1(C)CON(Cc2ccc(C#N)cc2Cl)C1=O- InChIKey
SDQDJSJXPJPIBQ-UHFFFAOYSA-N- Molecular formula
- C13H13ClN2O2
- Average molar mass
- 264.71 g/mol
- Monoisotopic mass
- 264.0665554
Names & identifiers
- Preferred name
- 3-Chloro-4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]benzonitrile
- IUPAC
- 3-chloro-4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]benzonitrile
Names & synonyms
81778-55-43-Chloro-4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]benzonitrileSCHEMBL7801815DTXSID20526131
Database identifiers
- CAS
81778-55-4- PubChem CID
- 13192576
- DTXSID
DTXSID20526131
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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