2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 4483-1154 |
| Compound Name: | 2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 272.26 |
| Molecular Formula: | C14 H12 N2 O4 |
| Smiles: | C1C=CCC2C1C(N(C2=O)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9298 |
| logD: | 1.9298 |
| logSw: | -2.5405 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.453 |
| InChI Key: | KRGRFPBBWGWVPR-UHFFFAOYSA-N |