Basic information
- CAS
81778-16-7- Standard SMILES
CC1(C)C(=O)N(Cc2ccccc2Cl)OC1O- InChIKey
MDZOMCCXUBFSBT-UHFFFAOYSA-N- Molecular formula
- C12H14ClNO3
- Average molar mass
- 255.7 g/mol
- Monoisotopic mass
- 255.066221
Names & identifiers
- Preferred name
- 2-[(2-Chlorophenyl)methyl]-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one
- IUPAC
- 2-[(2-chlorophenyl)methyl]-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one
Names & synonyms
81778-16-72-(2-chlorobenzyl)-5-hydroxy-4,4-dimethylisoxazolidin-3-one3-Isoxazolidinone, 2-[(2-chlorophenyl)methyl]-5-hydroxy-4,4-dimethyl-2-[(2-chlorophenyl)methyl]-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-oneSCHEMBL11193583DTXSID905261432-[(2-Chlorophenyl)methyl]-5-hydroxy-4,4-dimethyl-3-isoxazolidinone
Database identifiers
- CAS
81778-16-7- PubChem CID
- 13192590
- DTXSID
DTXSID90526143- Nikkaji
- J482.672H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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