1-(4-Nitrobenzoyl)-1H-benzotriazole
benzotriazol-1-yl-(4-nitrophenyl)methanone
Also Known As: PNZ-benzotriazole|benzotriazol-1-yl-(4-nitrophenyl)methanone|1-(4-Nitrobenzoyl)-1H-1,2,3-benzotriazole|Oprea1_224545|Oprea1_648583|CBDivE_013038|1-(4-Nitrobenzoyl)-1H-benzotriazole|benzotriazolyl 4-nitrophenyl ketone|(1H-Benzo[d][1,2,3]triazol-1-yl)(4-nitrophenyl)methanone|Benzotriazol-1-yl-(4-nitro-phenyl)-methanone|BAS 00403476|1H-benzotriazol-1-yl(4-nitrophenyl)methanone|J1.477.945K|(1H-Benzotriazol-1-yl)(4-nitrophenyl)methanone|(4-Nitrophenyl)(1H-benzotriazole-1-yl) ketone|1-(4-NITROBENZOYL)-1,2,3-BENZOTRIAZOLE|SR-01000407192-1
| Molecular Formula | C13H8N4O3 |
|---|---|
| Molecular Weight | 268.05963 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 93.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.05963 |
| Monoisotopic Mass | 268.05963 |
| Heavy Atoms | 20 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 4231-71-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2C(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | QVSHSQXCFXHFMN-UHFFFAOYSA-N |
Product Overview
1-(4-Nitrobenzoyl)-1H-benzotriazole (CAS 4231-71-4), with molecular formula C13H8N4O3 and molecular weight 268.05963 g/mol. IUPAC: benzotriazol-1-yl-(4-nitrophenyl)methanone.