2-(4-chloro-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-chloro-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-(4-chloro-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3970-0890 |
| Compound Name: | 2-(4-chloro-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 318.71 |
| Molecular Formula: | C15 H11 Cl N2 O4 |
| Smiles: | C1C2C=CC1C1C2C(N(C1=O)c1ccc(cc1[N+]([O-])=O)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0241 |
| logD: | 2.0241 |
| logSw: | -2.8329 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.504 |
| InChI Key: | KAHSFYVVEJYGAL-UHFFFAOYSA-N |