4-({4-chloro-3-nitrobenzylidene}amino)-4H-1,2,4-triazole
(E)-1-(4-chloro-3-nitrophenyl)-N-(1,2,4-triazol-4-yl)methanimine
Also Known As: 4-({4-chloro-3-nitrobenzylidene}amino)-4H-1,2,4-triazole|BAS 00314475|AG-690/09151035|(E)-1-(4-chloro-3-nitrophenyl)-N-(1,2,4-triazol-4-yl)methanimine|(4-Chloro-3-nitro-benzylidene)-[1,2,4]triazol-4-yl-amine|N-[(E)-(4-chloro-3-nitrophenyl)methylidene]-4H-1,2,4-triazol-4-amine|(E)-N-(4-chloro-3-nitrobenzylidene)-4H-1,2,4-triazol-4-amine|1-(4-chloro-3-nitrophenyl)-N-(1,2,4-triazol-4-yl)methanimine|4-[(1E)-2-(4-chloro-3-nitrophenyl)-1-azavinyl]-1,2,4-triazole
| Molecular Formula | C9H6ClN5O2 |
|---|---|
| Molecular Weight | 251.021 g/mol |
| LogP | 1.7219 |
| Topological Polar Surface Area | 86.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.021 |
| Monoisotopic Mass | 251.021 |
| Heavy Atoms | 17 |
| Complexity | 566.77014 |
Chemical Identifiers
| CAS Number | 35546-54-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1/C=N/N2C=NN=C2)[N+](=O)[O-])Cl |
Product Overview
4-({4-chloro-3-nitrobenzylidene}amino)-4H-1,2,4-triazole (CAS 35546-54-4), with molecular formula C9H6ClN5O2 and molecular weight 251.021 g/mol. IUPAC: (E)-1-(4-chloro-3-nitrophenyl)-N-(1,2,4-triazol-4-yl)methanimine.