2-(4-bromo-2-nitrophenyl)-4-methyl-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-bromo-2-nitrophenyl)-4-methyl-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
2-(4-bromo-2-nitrophenyl)-4-methyl-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 2360-0111 |
| Compound Name: | 2-(4-bromo-2-nitrophenyl)-4-methyl-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione |
| Molecular Weight: | 379.16 |
| Molecular Formula: | C15 H11 Br N2 O5 |
| Smiles: | CC12C=CC(C3C1C(N(C3=O)c1ccc(cc1[N+]([O-])=O)[Br])=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9513 |
| logD: | 1.9513 |
| logSw: | -2.3525 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.581 |
| InChI Key: | JBSZXUDUTUYYNU-UHFFFAOYSA-N |