2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzonitrile
Chemical Structure Depiction of
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzonitrile
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzonitrile
Compound characteristics
| Compound ID: | 8009-0223 |
| Compound Name: | 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzonitrile |
| Molecular Weight: | 264.28 |
| Molecular Formula: | C16 H12 N2 O2 |
| Smiles: | C1C2C=CC1C1C2C(N(C1=O)c1ccccc1C#N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3541 |
| logD: | 1.3541 |
| logSw: | -2.0733 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.48 |
| InChI Key: | ZHTHMEIOCZWAJK-UHFFFAOYSA-N |