2-[2-chloro-5-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[2-chloro-5-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
2-[2-chloro-5-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8007-7414 |
| Compound Name: | 2-[2-chloro-5-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione |
| Molecular Weight: | 373.71 |
| Molecular Formula: | C16 H11 Cl F3 N O4 |
| Smiles: | C(C12C=CC(C3C1C(N(C3=O)c1cc(ccc1[Cl])C(F)(F)F)=O)O2)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6978 |
| logD: | 1.6978 |
| logSw: | -2.617 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.81 |
| InChI Key: | JPUFBYQNQKVOGO-UHFFFAOYSA-N |