Benzofurazan, 7-(4-(3-methylphenyl)-1-piperazinyl)-4-nitro-, 1-oxide
Basic information
- CAS
61785-73-7- Standard SMILES
Cc1cccc(N2CCN(c3ccc([N+](=O)[O-])c4no[n+]([O-])c34)CC2)c1- InChIKey
IDMAMEWMDAMVFQ-UHFFFAOYSA-N- Molecular formula
- C17H17N5O4
- Average molar mass
- 355.3 g/mol
- Monoisotopic mass
- 355.12805404
Names & identifiers
- Preferred name
- Benzofurazan, 7-(4-(3-methylphenyl)-1-piperazinyl)-4-nitro-, 1-oxide
- IUPAC
- 4-[4-(3-methylphenyl)piperazin-1-yl]-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
Names & synonyms
BENZOFURAZAN, 7-(4-(3-METHYLPHENYL)-1-PIPERAZINYL)-4-NITRO-, 1-OXIDE61785-73-77-(4-(3-Methylphenyl)-1-piperazinyl)-4-nitrobenzofurazan 1-oxideBenzofurazan, 7-(4-(m-tolyl)-1-piperazinyl)-4-nitro-, 1-oxideDTXSID40210782NSC228108NSC 228108NSC-228108WLN: T56 BNONJ BO FNW I- AT6N DNTJ DR C17-[4-(3-Methylphenyl)piperazin-1-yl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole
Database identifiers
- CAS
61785-73-7- PubChem CID
- 43794
- DTXSID
DTXSID40210782- Nikkaji
- J71.576J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 510
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Compound notes
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