Basic information
- CAS
65427-82-9- Standard SMILES
Cc1cccc(N2CCN(c3ccc4nonc4c3[N+](=O)[O-])CC2)c1- InChIKey
MXLYUXLWOJHPJY-UHFFFAOYSA-N- Molecular formula
- C17H17N5O3
- Average molar mass
- 339.3 g/mol
- Monoisotopic mass
- 339.13313942
Names & identifiers
- Preferred name
- Benzofurazan, 5-(4-(3-methylphenyl)-1-piperazinyl)-4-nitro-
- IUPAC
- 5-[4-(3-methylphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole
- English name
- 5-[4-(3-Methylphenyl)-1-piperazinyl]-4-nitrobenzofurazane
- Molecular formula
- C17H17N5O3
- Molecular weight
- 339.35
Names & synonyms
65427-82-9BENZOFURAZAN, 5-(4-(3-METHYLPHENYL)-1-PIPERAZINYL)-4-NITRO-C5BAZ85VU35-(4-(3-Methylphenyl)-1-piperazinyl)-4-nitrobenzofurazanNSC288660NSC-288660BFZ 26NSC 288660Benzofurazan, 5-[4-(3-methylphenyl)-1-piperazinyl]-4-nitro-5-[4-(3-methylphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole5-(3-Methylphenylpiperazinyl)-4-nitrobenzofurazan4-Nitro-5-(4-(m-tolyl)-1-piperazinyl)benzofurazan
Show more names
BFZ-265-[4-(3-Methylphenyl)-1-piperazinyl]-4-nitrobenzofurazane2,1,3-Benzoxadiazole, 5-[4-(3-methylphenyl)-1-piperazinyl]-4-nitro-
5-(4-(3-Tolyl)-1-piperazinyl)-4-nitrobenzofurazanBenzofurazan, 4-nitro-5-(4-(m-tolyl)-1-piperazinyl)-UNII-C5BAZ85VU3DTXSID40215757WLN: T56 BNONJ FNW G-AT6N DNTJ DR C1WLN: T56 BNONJ FNW G- AT6N DNTJ DR C15-[4-(m-tolyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazoleBenzofurazan,5-[4-(3-methylphenyl)-1-piperazinyl]-4-nitro-
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 479
Physicochemical properties
- Boiling point
- 550.1 · 550.1±60.0 °C(Predicted)
- Density
- 1.366 · 1.366±0.06 g/cm3(Predicted)
- pka
- 5.12 · 5.12±0.40(Predicted)
- FDA UNII
- 5 BAZ85VU3 · C5BAZ85VU3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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