2-(4-bromo-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-bromo-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
2-(4-bromo-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 2360-0139 |
| Compound Name: | 2-(4-bromo-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione |
| Molecular Weight: | 365.14 |
| Molecular Formula: | C14 H9 Br N2 O5 |
| Smiles: | C1=CC2C3C(C1O2)C(N(C3=O)c1ccc(cc1[N+]([O-])=O)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5524 |
| logD: | 1.5524 |
| logSw: | -2.0358 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.284 |
| InChI Key: | CXWYULPZGNRRIJ-UHFFFAOYSA-N |