2-(4-chlorophenyl)-3-oxobutanenitrile
Chemical Structure Depiction of
2-(4-chlorophenyl)-3-oxobutanenitrile
2-(4-chlorophenyl)-3-oxobutanenitrile
Compound characteristics
| Compound ID: | K780-0268 |
| Compound Name: | 2-(4-chlorophenyl)-3-oxobutanenitrile |
| Molecular Weight: | 193.63 |
| Molecular Formula: | C10 H8 Cl N O |
| Smiles: | CC(C(C#N)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2639 |
| logD: | 2.2603 |
| logSw: | -3.1836 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 31.1213 |
| InChI Key: | IPBZEJZUAZXNOS-JTQLQIEISA-N |