Basic information
- CAS
81778-83-8- Standard SMILES
CC1(C)CON(Cc2cc(F)ccc2Br)C1=O- InChIKey
JUTPLQFUKBJMHB-UHFFFAOYSA-N- Molecular formula
- C12H13BrFNO2
- Average molar mass
- 302.14 g/mol
- Monoisotopic mass
- 301.01137
Names & identifiers
- Preferred name
- 2-(2-Bromo-5-fluorobenzyl)-4,4-dimethylisoxazolidin-3-one
- IUPAC
- 2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
Names & synonyms
81778-83-82-(2-bromo-5-fluorobenzyl)-4,4-dimethylisoxazolidin-3-oneSCHEMBL11199755DTXSID005261392-[(2-Bromo-5-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
Database identifiers
- CAS
81778-83-8- PubChem CID
- 13192585
- DTXSID
DTXSID00526139
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- 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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