Basic information
- CAS
191277-31-3- Standard SMILES
O=C1CCON1CC#CCCl- InChIKey
VPAKRCFQHJKJBU-UHFFFAOYSA-N- Molecular formula
- C7H8ClNO2
- Average molar mass
- 173.6 g/mol
- Monoisotopic mass
- 173.0243562
Names & identifiers
- Preferred name
- 3-Isoxazolidinone, 2-(4-chloro-2-butynyl)-
- IUPAC
- 2-(4-chlorobut-2-ynyl)-1,2-oxazolidin-3-one
Names & synonyms
191277-31-33-Isoxazolidinone, 2-(4-chloro-2-butynyl)-DTXSID304696812-(4-CHLOROBUT-2-YN-1-YL)-1,2-OXAZOLIDIN-3-ONEAKOS006290590
Database identifiers
- CAS
191277-31-3- PubChem CID
- 11629671
- DTXSID
DTXSID30469681
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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