Basic information
- CAS
18377-99-6- Standard SMILES
CN(C)c1ccc([N+](=O)[O-])c2c1no[n+]2[O-]- InChIKey
CJVFHRPMZJGTGR-UHFFFAOYSA-N- Molecular formula
- C8H8N4O4
- Average molar mass
- 224.17 g/mol
- Monoisotopic mass
- 224.05455475
Names & identifiers
- Preferred name
- 4-Benzofurazanamine, N,N-dimethyl-7-nitro-, 1-oxide
- IUPAC
- N,N-dimethyl-4-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-7-amine
Names & synonyms
4-BENZOFURAZANAMINE, N,N-DIMETHYL-7-NITRO-, 1-OXIDE18377-99-6BRN 30362674-(Dimethylamino)-7-nitrobenzofurazan 3-oxideBenzofurazan, 4-(dimethylamino)-7-nitro-, 3-oxideDTXSID50171471N,N-Dimethyl-7-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazol-4-amine
Database identifiers
- CAS
18377-99-6- PubChem CID
- 29047
- DTXSID
DTXSID50171471- Nikkaji
- J71.563H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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