Basic information
- CAS
81778-59-8- Standard SMILES
CC1(C)CON(Cc2ccc(Br)cc2Cl)C1=O- InChIKey
FETSJLMCIHGQTG-UHFFFAOYSA-N- Molecular formula
- C12H13BrClNO2
- Average molar mass
- 318.59 g/mol
- Monoisotopic mass
- 316.98182
Names & identifiers
- Preferred name
- 2-[(4-Bromo-2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
- IUPAC
- 2-[(4-bromo-2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
Names & synonyms
81778-59-82-(4-bromo-2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one2-[(4-Bromo-2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-oneSCHEMBL11195728DTXSID60526135
Database identifiers
- CAS
81778-59-8- PubChem CID
- 13192580
- DTXSID
DTXSID60526135
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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