Basic information
- CAS
81778-66-7- Standard SMILES
CC1(C)CON(Cc2cc(Cl)ccc2Cl)C1=O- InChIKey
ZTMOLOVAQWCURR-UHFFFAOYSA-N- Molecular formula
- C12H13Cl2NO2
- Average molar mass
- 274.14 g/mol
- Monoisotopic mass
- 273.032334
Names & identifiers
- Preferred name
- 2-[(2,5-Dichlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
- IUPAC
- 2-[(2,5-dichlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
Names & synonyms
81778-66-72-(2,5-Dichlorobenzyl)-4,4-dimethylisoxazolidin-3-one2-[(2,5-Dichlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-oneSCHEMBL11204308SCHEMBL29481371DTXSID805261373-Isoxazolidinone, 2-[(2,5-dichlorophenyl)methyl]-4,4-dimethyl-DB-421879
Database identifiers
- CAS
81778-66-7- PubChem CID
- 13192583
- DTXSID
DTXSID80526137
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
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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