5-bromo-5-nitrospiro[[1,3]dioxane-2,3'-indol]-2'(1'H)-one
Chemical Structure Depiction of
5-bromo-5-nitrospiro[[1,3]dioxane-2,3'-indol]-2'(1'H)-one
5-bromo-5-nitrospiro[[1,3]dioxane-2,3'-indol]-2'(1'H)-one
Compound characteristics
| Compound ID: | 8013-0175 |
| Compound Name: | 5-bromo-5-nitrospiro[[1,3]dioxane-2,3'-indol]-2'(1'H)-one |
| Molecular Weight: | 329.1 |
| Molecular Formula: | C11 H9 Br N2 O5 |
| Smiles: | C1C(COC2(C(Nc3ccccc23)=O)O1)([N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.8953 |
| logD: | 1.8952 |
| logSw: | -2.7325 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.116 |
| InChI Key: | AUUCPQSCAKGIHY-UHFFFAOYSA-N |