2-(3-chloro-4-fluorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(3-chloro-4-fluorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-(3-chloro-4-fluorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K603-0118 |
| Compound Name: | 2-(3-chloro-4-fluorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 291.71 |
| Molecular Formula: | C15 H11 Cl F N O2 |
| Smiles: | C1C2C=CC1C1C2C(N(C1=O)c1ccc(c(c1)[Cl])F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1974 |
| logD: | 2.1974 |
| logSw: | -3.0273 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.7245 |
| InChI Key: | NYINCMQJDVVGCO-UHFFFAOYSA-N |