2-(4-methyl-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-methyl-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
2-(4-methyl-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3970-0931 |
| Compound Name: | 2-(4-methyl-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 312.32 |
| Molecular Formula: | C17 H16 N2 O4 |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)N1C(C2C3CCC(C=C3)C2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2661 |
| logD: | 2.2661 |
| logSw: | -2.6133 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.772 |
| InChI Key: | BVUUQMPZCQAOIE-UHFFFAOYSA-N |