6-bromo-3,3-dimethyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-ium--iodide (1/1)
Chemical Structure Depiction of
6-bromo-3,3-dimethyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-ium--iodide (1/1)
6-bromo-3,3-dimethyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 8013-7404 |
| Compound Name: | 6-bromo-3,3-dimethyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-ium--iodide (1/1) |
| Molecular Weight: | 448.05 |
| Molecular Formula: | C10 H15 Br N3 O4 |
| Salt: | I- |
| Smiles: | C[N+]1(C)CC2(CC=C(C(C2)(C1)[N+]([O-])=O)[Br])[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7821 |
| logD: | 1.7821 |
| logSw: | -1.817 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.375 |
| InChI Key: | XYRXILNAXKPMAB-UHFFFAOYSA-N |