2-(4-fluoro-3-nitrophenyl)-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-fluoro-3-nitrophenyl)-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-(4-fluoro-3-nitrophenyl)-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | R052-0961 |
| Compound Name: | 2-(4-fluoro-3-nitrophenyl)-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 304.28 |
| Molecular Formula: | C15 H13 F N2 O4 |
| Smiles: | CC1C=CCC2C1C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7762 |
| logD: | 1.7762 |
| logSw: | -2.4939 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.153 |
| InChI Key: | RDXGRHUPRXVNAJ-UHFFFAOYSA-N |