RefChem:236980
1-[[2-(1-benzofuran-2-yl)-5,5-dimethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole;nitric acid
Also Known As: 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5,5-dimethyl-1,3-dioxan-2-yl)methyl)-, mononitrate|1-((2-(2-Benzofuranyl)-5,5-dimethyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole mononitrate|Nitrat von 2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-5,5-dimethyl-1,3-dioxan|1-((2-(2-BENZOFURANYL)-5,5-DIMETHYL-1,3-DIOXAN-2-YL)METHYL)-1H-1,2,4-TRIAZOLE NITRATE|1-[[2-(1-benzofuran-2-yl)-5,5-dimethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole; nitric acid|Nitric acid--1-{[2-(1-benzofuran-2-yl)-5,5-dimethyl-1,3-dioxan-2-yl]methyl}-1H-1,2,4-triazole (1/1)
| Molecular Formula | C17H20N4O6 |
|---|---|
| Molecular Weight | 376.13828 g/mol |
| LogP | 2.6026 |
| Topological Polar Surface Area | 125.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.13828 |
| Monoisotopic Mass | 376.13828 |
| Heavy Atoms | 27 |
| Complexity | 858.19415 |
Chemical Identifiers
| CAS Number | 98532-76-4 |
|---|---|
| SMILES | CC1(COC(OC1)(CN2C=NC=N2)C3=CC4=CC=CC=C4O3)C.[N+](=O)(O)[O-] |
Product Overview
RefChem:236980 (CAS 98532-76-4), with molecular formula C17H20N4O6 and molecular weight 376.13828 g/mol. IUPAC: 1-[[2-(1-benzofuran-2-yl)-5,5-dimethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole;nitric acid.