Basic information
- CAS
26537-55-3- Standard SMILES
[O-]c1c[n+](CCc2ccc(Cl)cc2)no1- InChIKey
SADYVTGTAYOVAT-UHFFFAOYSA-N- Molecular formula
- C10H9ClN2O2
- Average molar mass
- 224.64 g/mol
- Monoisotopic mass
- 224.0352552
Names & identifiers
- Preferred name
- 1,2,3-oxadiazolium, 3-(2-(4-chlorophenyl)ethyl)-5-hydroxy-, inner salt
- IUPAC
- 3-[2-(4-chlorophenyl)ethyl]oxadiazol-3-ium-5-olate
- English name
- 3-(p-Chlorophenethyl)sydnone
- Molecular weight
- 0
Names & synonyms
1,2,3-Oxadiazolium, 3-[2-(4-chlorophenyl)ethyl]-5-hydroxy-, inner salt26537-55-31,2,3-oxadiazolium, 3-(2-(4-chlorophenyl)ethyl)-5-hydroxy-, inner saltRefChem:2146423-[2-(4-Chlorophenyl)ethyl]-1,2,3-oxadiazol-3-ium-5-olateDTXSID6011542063-(p-Chlorophenethyl)sydnone
Database identifiers
- CAS
26537-55-3- PubChem CID
- 568641
- DTXSID
DTXSID601154206- Nikkaji
- J146.724G
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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