2-(2-fluoro-5-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(2-fluoro-5-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-(2-fluoro-5-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | R052-0900 |
| Compound Name: | 2-(2-fluoro-5-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 290.25 |
| Molecular Formula: | C14 H11 F N2 O4 |
| Smiles: | C1C=CCC2C1C(N(C2=O)c1cc(ccc1F)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2594 |
| logD: | 2.2594 |
| logSw: | -2.7813 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.153 |
| InChI Key: | IBYNIGIJFVEIBT-UHFFFAOYSA-N |