[2-(4-bromo-2-nitrophenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methylene diacetate
Chemical Structure Depiction of
[2-(4-bromo-2-nitrophenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methylene diacetate
[2-(4-bromo-2-nitrophenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methylene diacetate
Compound characteristics
| Compound ID: | 1935-0167 |
| Compound Name: | [2-(4-bromo-2-nitrophenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methylene diacetate |
| Molecular Weight: | 495.24 |
| Molecular Formula: | C19 H15 Br N2 O9 |
| Smiles: | CC(=O)OC(C12C=CC(C3C1C(N(C3=O)c1ccc(cc1[N+]([O-])=O)[Br])=O)O2)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3954 |
| logD: | 1.3954 |
| logSw: | -2.0998 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 111.648 |
| InChI Key: | HXZSKXIMDVXOCI-UHFFFAOYSA-N |