Basic information
- CAS
61785-71-5- Standard SMILES
COc1ccc(N2CCN(c3ccc([N+](=O)[O-])c4no[n+]([O-])c34)CC2)cc1- InChIKey
XYJLDBQJBOBAQC-UHFFFAOYSA-N- Molecular formula
- C17H17N5O5
- Average molar mass
- 371.3 g/mol
- Monoisotopic mass
- 371.12296866
Names & identifiers
- Preferred name
- Benzofurazan, 4-(4-(4-methoxyphenyl)-1-piperazinyl)-7-nitro-, 3-oxide
- IUPAC
- 4-[4-(4-methoxyphenyl)piperazin-1-yl]-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
- English name
- 7-[4-(4-Methoxyphenyl)-1-piperazinyl]-4-nitrobenzofurazane 1-oxide
- Molecular formula
- C17H17N5O5
- Molecular weight
- 371.35
Names & synonyms
61785-71-5BENZOFURAZAN, 4-(4-(4-METHOXYPHENYL)-1-PIPERAZINYL)-7-NITRO-, 3-OXIDE4-(4-(4-Methoxyphenyl)-1-piperazinyl)-7-nitrobenzofuroxanNSC-228110Benzofurazan, 4-[4-(4-methoxyphenyl)-1-piperazinyl]-7-nitro-, 3-oxideNSC228110TUR2BH6SGM4-(4-(4-Methoxyphenyl)-1-piperazinyl)-7-nitrobenzofurazan 3-oxide4-[4-(4-methoxyphenyl)piperazin-1-yl]-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-iumDTXSID202107807-[4-(4-METHOXYPHENYL)-1-PIPERAZINYL]-4-NITROBENZOFURAZANE 1-OXIDENSC 228110
Show more names
7-[4-(4-Methoxyphenyl)-1-piperazinyl]-4-nitrobenzofurazan 1-oxide
DB-296710WLN: T56 BNONJ BO FNW I- AT6N DNTJ DR DO17-[4-(4-Methoxyphenyl)-1-piperazinyl ]-4-nitrobenzofurazane 1-oxideMETHOXYPHENYL)-1-PIPERAZINYL)-7-NITROBENZOFUROXAN, 4-(4-(4-2,1,3-Benzoxadiazole, 4-[4-(4-methoxyphenyl)-1-piperazinyl]-7-nitro-, 3-oxide7-[4-(4-Methoxyphenyl)piperazin-1-yl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole
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
- 518
Physicochemical properties
- Boiling point
- 617.4 · 617.4±65.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 5.31 · 5.31±0.40(Predicted)
- FDA UNII
- 2 BH6SGM · TUR2BH6SGM
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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