1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
Also Known As: Bionet2_001558|1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one|1- -2- -ETHANONE|1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-ethanone|1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone|1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone|KS-00001SM6|6239AE|p-chlorophenacyl-1H-1,2,4-triazole|BAS 00654784|1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-1-ethanone|1-(4-CHLOROPHENYL)-2-(1H-1,2,4-TRIAZOLE-1-YL)-ETHANONE|4-chlorophenyl 1,2,4-triazol-1-yl-methyl ketone|alpha-1,2,4-triazol-1-yl-p-chloroacetophenone|2-(1,2,4-triazol-1-yl)-4'-chloroacetophenone|4-chlorophenyl 1,2,4-triazol-1-ylmethyl ketone|12E-011|AG-690/09703027
| Molecular Formula | C10H8ClN3O |
|---|---|
| Molecular Weight | 221.03558 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.03558 |
| Monoisotopic Mass | 221.03558 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 58905-19-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CN2C=NC=N2)Cl |
| InChIKey | ZDGXDQYBMSMZLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one (CAS 58905-19-4), with molecular formula C10H8ClN3O and molecular weight 221.03558 g/mol. IUPAC: 1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone.