Basic information
- CAS
52118-29-3- Standard SMILES
O=c1oc(-c2ccc(Cl)c([N+](=O)[O-])c2)ns1- InChIKey
NEDUKRBZMUKYGR-UHFFFAOYSA-N- Molecular formula
- C8H3ClN2O4S
- Average molar mass
- 258.64 g/mol
- Monoisotopic mass
- 257.9502054
Names & identifiers
- Preferred name
- 5-(4-Chloro-3-nitrophenyl)-2H-1,3,4-oxathiazol-2-one
- IUPAC
- 5-(4-chloro-3-nitrophenyl)-1,3,4-oxathiazol-2-one
Names & synonyms
52118-29-3NSC2945655-(4-Chloro-3-nitrophenyl)-2H-1,3,4-oxathiazol-2-oneDTXSID00315429NSC-294565
Database identifiers
- CAS
52118-29-3- PubChem CID
- 325596
- DTXSID
DTXSID00315429
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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