3-(2-chlorophenyl)-3-oxopropanenitrile
Chemical Structure Depiction of
3-(2-chlorophenyl)-3-oxopropanenitrile
3-(2-chlorophenyl)-3-oxopropanenitrile
Compound characteristics
| Compound ID: | 8020-1716 |
| Compound Name: | 3-(2-chlorophenyl)-3-oxopropanenitrile |
| Molecular Weight: | 179.6 |
| Molecular Formula: | C9 H6 Cl N O |
| Smiles: | C(C#N)C(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7945 |
| logD: | 0.5247 |
| logSw: | -2.9224 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 30.9771 |
| InChI Key: | SBSWHTFHLWSSQS-UHFFFAOYSA-N |