Basic information
- CAS
3815-78-9- Standard SMILES
Cc1ccccc1-[n+]1noc([O-])c1[N+](=O)[O-]- InChIKey
ZXGVQOFIHXZHTJ-UHFFFAOYSA-N- Molecular formula
- C9H7N3O4
- Average molar mass
- 221.17 g/mol
- Monoisotopic mass
- 221.04365571
Names & identifiers
- Preferred name
- Sydnone, 4-nitro-3-(o-tolyl)-
- IUPAC
- 3-(2-methylphenyl)-4-nitrooxadiazol-3-ium-5-olate
Names & synonyms
Sydnone, 4-nitro-3-(o-tolyl)-4-Nitro-3-(o-tolyl)sydnoneBRN 1590622N-(o-Tolyl)-C-nitrosydnonN-(o-Tolyl)-C-nitrosydnon [German]Sydnone, 3-(2-methylphenyl)-4-nitro-3815-78-9DTXSID20191540RefChem:382754DTXCID601140313-(o-tolyl)-4-(nitro)-sydnon3-(2-Methylphenyl)-4-nitro-1,2,3-oxadiazol-3-ium-5-olate
Database identifiers
- CAS
3815-78-9- PubChem CID
- 199181
- DTXSID
DTXSID20191540- Nikkaji
- J191.898B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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