1-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-3,3-dimethylbutan-2-one
Chemical Structure Depiction of
1-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-3,3-dimethylbutan-2-one
1-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-3,3-dimethylbutan-2-one
Compound characteristics
| Compound ID: | 8017-4520 |
| Compound Name: | 1-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-3,3-dimethylbutan-2-one |
| Molecular Weight: | 236.1 |
| Molecular Formula: | C8 H11 Cl2 N3 O |
| Smiles: | CC(C)(C)C(Cn1c(nc(n1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0235 |
| logD: | 2.0235 |
| logSw: | -2.4614 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.496 |
| InChI Key: | KOAUJFIJMUDAEJ-UHFFFAOYSA-N |