Basic information
- CAS
65427-84-1- Standard SMILES
O=[N+]([O-])c1c(N2CCN(c3ccccc3)CC2)ccc2c1no[n+]2[O-]- InChIKey
GXTLTVQBVDAYDT-UHFFFAOYSA-N- Molecular formula
- C16H15N5O4
- Average molar mass
- 341.32 g/mol
- Monoisotopic mass
- 341.11240398
Names & identifiers
- Preferred name
- Benzofurazan, 4-nitro-5-(4-phenyl-1-piperazinyl)-, 1-oxide
- IUPAC
- 4-nitro-1-oxido-5-(4-phenylpiperazin-1-yl)-2,1,3-benzoxadiazol-1-ium
Names & synonyms
65427-84-1BENZOFURAZAN, 4-NITRO-5-(4-PHENYL-1-PIPERAZINYL)-, 1-OXIDEB27344-Nitro-5-(4-phenyl-1-piperazinyl)benzofurazan oxide4-Nitro-5-(4-phenyl-1-piperazinyl)benzofurazane 1-oxideDTXSID60215759DB-3166884-Nitro-1-oxo-5-(4-phenylpiperazin-1-yl)-2,1lambda~5~,3-benzoxadiazole
Database identifiers
- CAS
65427-84-1- PubChem CID
- 47637
- DTXSID
DTXSID60215759- Nikkaji
- J71.582D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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