Benzofurazan, 5-(4-(2-hydroxyethyl)-1-piperazinyl)-4-nitro-, 1-oxide
Basic information
- CAS
65427-76-1- Standard SMILES
O=[N+]([O-])c1c(N2CCN(CCO)CC2)ccc2c1no[n+]2[O-]- InChIKey
DEYZVATZOOLFDK-UHFFFAOYSA-N- Molecular formula
- C12H15N5O5
- Average molar mass
- 309.28 g/mol
- Monoisotopic mass
- 309.1073186
Names & identifiers
- Preferred name
- Benzofurazan, 5-(4-(2-hydroxyethyl)-1-piperazinyl)-4-nitro-, 1-oxide
- IUPAC
- 2-[4-(4-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)piperazin-1-yl]ethanol
Names & synonyms
65427-76-1BENZOFURAZAN, 5-(4-(2-HYDROXYETHYL)-1-PIPERAZINYL)-4-NITRO-, 1-OXIDE5-(4-(2-Hydroxyethyl)-1-piperazinyl)-4-nitrobenzofurazan 1-oxideDTXSID402157522-[4-(4-Nitro-1-oxo-2,1lambda~5~,3-benzoxadiazol-5-yl)piperazin-1-yl]ethan-1-ol
Database identifiers
- CAS
65427-76-1- PubChem CID
- 47631
- DTXSID
DTXSID40215752- Nikkaji
- J71.571I
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…