3-[4-(2-chlorophenyl)-5-oxo-4,5-dihydro-1H-tetrazol-1-yl]propanenitrile
Chemical Structure Depiction of
3-[4-(2-chlorophenyl)-5-oxo-4,5-dihydro-1H-tetrazol-1-yl]propanenitrile
3-[4-(2-chlorophenyl)-5-oxo-4,5-dihydro-1H-tetrazol-1-yl]propanenitrile
Compound characteristics
| Compound ID: | 8020-7920 |
| Compound Name: | 3-[4-(2-chlorophenyl)-5-oxo-4,5-dihydro-1H-tetrazol-1-yl]propanenitrile |
| Molecular Weight: | 249.66 |
| Molecular Formula: | C10 H8 Cl N5 O |
| Smiles: | C(CN1C(N(c2ccccc2[Cl])N=N1)=O)C#N |
| Stereo: | ACHIRAL |
| logP: | 1.7169 |
| logD: | 1.7169 |
| logSw: | -2.3701 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 62.485 |
| InChI Key: | BXNDKDOUFNCBQA-UHFFFAOYSA-N |