2-(5-chloro-2-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(5-chloro-2-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-(5-chloro-2-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K603-0221 |
| Compound Name: | 2-(5-chloro-2-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 277.7 |
| Molecular Formula: | C14 H12 Cl N O3 |
| Smiles: | C1C=CCC2C1C(N(C2=O)c1cc(ccc1O)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5514 |
| logD: | 2.5444 |
| logSw: | -2.9347 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.319 |
| InChI Key: | NZAXFEBXRNNIOD-UHFFFAOYSA-N |