Basic information
- CAS
81778-57-6- Standard SMILES
COc1ccc(CN2OCC(C)(C)C2=O)c(Cl)c1- InChIKey
XRQDYLGWKVMPCH-UHFFFAOYSA-N- Molecular formula
- C13H16ClNO3
- Average molar mass
- 269.72 g/mol
- Monoisotopic mass
- 269.0818711
Names & identifiers
- Preferred name
- 2-[(2-Chloro-4-methoxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
- IUPAC
- 2-[(2-chloro-4-methoxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
Names & synonyms
81778-57-62-(2-chloro-4-methoxybenzyl)-4,4-dimethylisoxazolidin-3-one2-[(2-Chloro-4-methoxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-oneSCHEMBL7614152DTXSID40526133
Database identifiers
- CAS
81778-57-6- PubChem CID
- 13192578
- DTXSID
DTXSID40526133
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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