2-[2-chloro-5-(trifluoromethyl)phenyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
2-[2-chloro-5-(trifluoromethyl)phenyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
2-[2-chloro-5-(trifluoromethyl)phenyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | 8016-6987 |
| Compound Name: | 2-[2-chloro-5-(trifluoromethyl)phenyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 373.71 |
| Molecular Formula: | C16 H11 Cl F3 N O4 |
| Smiles: | C1C23C=CC(C(C2C(N1c1cc(ccc1[Cl])C(F)(F)F)=O)C(O)=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6262 |
| logD: | 0.4048 |
| logSw: | -3.3161 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.209 |
| InChI Key: | LTNZXUDWGSHFCN-UHFFFAOYSA-N |