3-(3-Nitrophenyl)oxadiazol-3-ium-5-olate
Basic information
- CAS
14605-98-2- Standard SMILES
O=[N+]([O-])c1cccc(-[n+]2cc([O-])on2)c1- InChIKey
CEDUMPWAGWHKCT-UHFFFAOYSA-N- Molecular formula
- C8H5N3O4
- Average molar mass
- 207.14 g/mol
- Monoisotopic mass
- 207.02800565
Names & identifiers
- Preferred name
- 3-(3-Nitrophenyl)oxadiazol-3-ium-5-olate
- IUPAC
- 3-(3-nitrophenyl)oxadiazol-3-ium-5-olate
Names & synonyms
3-(3-nitrophenyl)oxadiazol-3-ium-5-olate14605-98-2DTXSID70403367RefChem:274247DTXCID903542213-m-nitrophenylsydnoneNSC184753AKOS024374841NSC-1847533-(3-nitrophenyl)-1,2,3-oxadiazol-5-olST510148033-(3-Nitrophenyl)-1,2,3-oxadiazol-3-ium-5-olate
Database identifiers
- CAS
14605-98-2- PubChem CID
- 4444602
- DTXSID
DTXSID70403367
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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