2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 1935-0112 |
| Compound Name: | 2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione |
| Molecular Weight: | 300.27 |
| Molecular Formula: | C15 H12 N2 O5 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)N1C(C2C(C3C=CC2O3)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2978 |
| logD: | 1.2978 |
| logSw: | -2.0692 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.585 |
| InChI Key: | BVLNLBMVGURYKE-UHFFFAOYSA-N |