2-(2-chloro-5-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(2-chloro-5-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
2-(2-chloro-5-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 4917-0023 |
| Compound Name: | 2-(2-chloro-5-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 332.74 |
| Molecular Formula: | C16 H13 Cl N2 O4 |
| Smiles: | C1CC2C=CC1C1C2C(N(C1=O)c1cc(ccc1[Cl])[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5058 |
| logD: | 2.5058 |
| logSw: | -3.1252 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.073 |
| InChI Key: | FCYQQISDGGSKJH-UHFFFAOYSA-N |