Basic information
- CAS
81777-91-5- Standard SMILES
CC1(C)CON(Cc2ccccc2Br)C1=O- InChIKey
YQPIKUDPKJDPHS-UHFFFAOYSA-N- Molecular formula
- C12H14BrNO2
- Average molar mass
- 284.15 g/mol
- Monoisotopic mass
- 283.02079
Names & identifiers
- Preferred name
- 2-[(2-Bromophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
- IUPAC
- 2-[(2-bromophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
Names & synonyms
81777-91-52-(2-Bromobenzyl)-4,4-dimethylisoxazolidin-3-one2-[(2-bromophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-oneSCHEMBL7797402DTXSID70526121
Database identifiers
- CAS
81777-91-5- PubChem CID
- 13192566
- DTXSID
DTXSID70526121
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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