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Zirconium Oxynitrate
CAS: 13826-66-9 | N2O7Zr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13826-66-9
Molecular Formula:
N2O7Zr
Molecular Mass:
231.23 g/mol
Names and Synonyms:
Zirconium Oxynitrate
Zirconium, bis(nitrato-κO)oxo-
Zirconium, dinitratooxo-
Zirconium, bis(nitrato-O)oxo-
Zirconyl nitrate
Bis(nitrato-κO)oxozirconium
Zirconium oxynitrate
Bis(nitrato)oxozirconium
Zirconium nitrate oxide (ZrO(NO3)2)
Zirconium oxide dinitrate
Zirconium oxynitrate (ZrO(NO3)2)
Zirconium oxide nitrate (ZrO(NO3)2)
Zirconium dinitrate oxide
Zirconyl nitrate (ZrO(NO3)2)
Zirconyl dinitrate
Zircosol ZN
Dinitratooxozirconium
NSC 148480
Identifiers:
SMILES:
O=[N+]([O-])[O-].O=[N+]([O-])[O-].[O].[Zr+2]
InChI:
InChI=1S/2NO3.O.Zr/c2*2-1(3)4;;/q2*-1;;+2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 231.23 g/mol | CAS Common Chemistry |
| 231.231 g/mol | RDKit | |
| 229.87525474 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)O[Zr](=O)ON(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/2NO3.O.Zr/c2*2-1(3)4;;/q2*-1;;+2 | CAS Common Chemistry |
| InChI Key | InChIKey=JWBWFTANBHYHBC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Zirconium oxynitrate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 160.9 Ų | RDKit |
| LogP | -0.5995000000000001 | RDKit |
| Molar Refractivity | 21.4093 | RDKit |
