[2-(2-chloro-5-nitrophenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methylene diacetate
Chemical Structure Depiction of
[2-(2-chloro-5-nitrophenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methylene diacetate
[2-(2-chloro-5-nitrophenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methylene diacetate
Compound characteristics
| Compound ID: | 3970-0969 |
| Compound Name: | [2-(2-chloro-5-nitrophenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methylene diacetate |
| Molecular Weight: | 450.79 |
| Molecular Formula: | C19 H15 Cl N2 O9 |
| Smiles: | CC(=O)OC(C12C=CC(C3C1C(N(C3=O)c1cc(ccc1[Cl])[N+]([O-])=O)=O)O2)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2612 |
| logD: | 1.2612 |
| logSw: | -2.6344 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 111.949 |
| InChI Key: | SUVMTDKQDXNCAK-UHFFFAOYSA-N |