7-(Azepan-1-yl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole
4-(azepan-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
Also Known As: 7-(Azepan-1-yl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole|4-(azepan-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium|2,1,3-BENZOXADIAZOLE,4-(HEXAHYDRO-1H-AZEPIN-1-YL)-7-NITRO-, 3-OXIDE
CAS: 61785-69-1
| Molecular Formula | C12H14N4O4 |
|---|---|
| Molecular Weight | 278.1015 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.1015 |
| Monoisotopic Mass | 278.1015 |
| Heavy Atoms | 20 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 61785-69-1 |
|---|---|
| SMILES | C1CCCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-] |
| InChIKey | VRZYVARISPPPLN-UHFFFAOYSA-N |
Product Overview
7-(Azepan-1-yl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole (CAS 61785-69-1), with molecular formula C12H14N4O4 and molecular weight 278.1015 g/mol. IUPAC: 4-(azepan-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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7-(Azepan-1-yl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole is a custom synthesis product. We offer services from milligram to kilogram scale.
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