1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one--hydrogen chloride (1/1)
1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 0278-0022 |
| Compound Name: | 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 237.69 |
| Molecular Formula: | C11 H11 N3 O |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1)C(Cn1cncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9764 |
| logD: | 0.9764 |
| logSw: | -1.7113 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.462 |
| InChI Key: | ZFWAVFITNQYLMB-UHFFFAOYSA-N |