RefChem:236979
copper;1-[[2-(1-benzofuran-2-yl)-5,5-dimethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole;sulfate;hydrate
Also Known As: 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5,5-dimethyl-1,3-dioxan-2-yl)methyl)-, compd. with copper (2+) sulfate (1:1:1)|Copper 1-[(2-benzofuran-2-yl-5,5-dimethyl-1,3-dioxan-2-yl)methyl]-1,2,4-triazole Sulfate Hydrate|copper 1-[[2-(1-benzofuran-2-yl)-5,5-dimethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole sulfate hydrate|Copper(2+) sulfate--1-{[2-(1-benzofuran-2-yl)-5,5-dimethyl-1,3-dioxan-2-yl]methyl}-1H-1,2,4-triazole--water (1/1/1/1)
| Molecular Formula | C17H21CuN3O8S |
|---|---|
| Molecular Weight | 490.03455 g/mol |
| LogP | 0.7851 |
| Topological Polar Surface Area | 174.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 490.03455 |
| Monoisotopic Mass | 490.03455 |
| Heavy Atoms | 30 |
| Complexity | 985.4012 |
Chemical Identifiers
| CAS Number | 98710-86-2 |
|---|---|
| SMILES | CC1(COC(OC1)(CN2C=NC=N2)C3=CC4=CC=CC=C4O3)C.O.[O-]S(=O)(=O)[O-].[Cu+2] |
Product Overview
RefChem:236979 (CAS 98710-86-2), with molecular formula C17H21CuN3O8S and molecular weight 490.03455 g/mol. IUPAC: copper;1-[[2-(1-benzofuran-2-yl)-5,5-dimethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole;sulfate;hydrate.