Basic information
- CAS
61785-72-6- Standard SMILES
COc1cccc(N2CCN(c3ccc([N+](=O)[O-])c4no[n+]([O-])c34)CC2)c1- InChIKey
PEXDBFGSQYSJFM-UHFFFAOYSA-N- Molecular formula
- C17H17N5O5
- Average molar mass
- 371.3 g/mol
- Monoisotopic mass
- 371.12296866
Names & identifiers
- Preferred name
- Benzofurazan, 7-(4-(3-methoxyphenyl)-1-piperazinyl)-4-nitro-, 1-oxide
- IUPAC
- 4-[4-(3-methoxyphenyl)piperazin-1-yl]-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
Names & synonyms
61785-72-6BENZOFURAZAN, 7-(4-(3-METHOXYPHENYL)-1-PIPERAZINYL)-4-NITRO-, 1-OXIDE7-(4-(3-Methoxyphenyl)-1-piperazinyl)-4-nitrobenzofurazan 1-oxideDTXSID802107817-[4-(3-Methoxyphenyl)piperazin-1-yl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole
Database identifiers
- CAS
61785-72-6- PubChem CID
- 43793
- DTXSID
DTXSID80210781- Nikkaji
- J71.573E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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