2-(2-chloro-4-fluorophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(2-chloro-4-fluorophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-(2-chloro-4-fluorophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K603-0247 |
| Compound Name: | 2-(2-chloro-4-fluorophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 279.7 |
| Molecular Formula: | C14 H11 Cl F N O2 |
| Smiles: | C1C=CCC2C1C(N(C2=O)c1ccc(cc1[Cl])F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7777 |
| logD: | 2.7777 |
| logSw: | -3.3649 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.771 |
| InChI Key: | VMMCMQUZUAYRGA-UHFFFAOYSA-N |