[5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]acetonitrile
Chemical Structure Depiction of
[5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]acetonitrile
[5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]acetonitrile
Compound characteristics
| Compound ID: | 8018-3009 |
| Compound Name: | [5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]acetonitrile |
| Molecular Weight: | 218.64 |
| Molecular Formula: | C10 H7 Cl N4 |
| Smiles: | C(C#N)c1nnc(c2cccc(c2)[Cl])[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.9494 |
| logD: | 1.8994 |
| logSw: | -2.4649 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.506 |
| InChI Key: | VQCSCJSXSIZMTK-UHFFFAOYSA-N |