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Molecule
Zirconium Oxynitrate
CAS: 13826-66-9 · N2O7Zr
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13826-66-9
- Molecular Formula
- N2O7Zr
- Molecular Mass
- 231.23 g/mol
Identifiers
CAS Registry Number
13826-66-9
SMILES
O=[N+]([O-])[O-].O=[N+]([O-])[O-].[O].[Zr+2]
InChI Key
JWBWFTANBHYHBC-UHFFFAOYSA-N
InChI
InChI=1S/2NO3.O.Zr/c2*2-1(3)4;;/q2*-1;;+2
Names and Synonyms
- Zirconium Oxynitrate Synonym
- Zirconium, bis(nitrato-κO)oxo- Synonym
- Zirconium, dinitratooxo- Synonym
- Zirconium, bis(nitrato-O)oxo- Synonym
- Zirconyl nitrate Synonym
- Bis(nitrato-κO)oxozirconium Synonym
- Zirconium oxynitrate Synonym
- Bis(nitrato)oxozirconium Synonym
- Zirconium nitrate oxide (ZrO(NO3)2) Synonym
- Zirconium oxide dinitrate Synonym
- Zirconium oxynitrate (ZrO(NO3)2) Synonym
- Zirconium oxide nitrate (ZrO(NO3)2) Synonym
- Zirconium dinitrate oxide Synonym
- Zirconyl nitrate (ZrO(NO3)2) Synonym
- Zirconyl dinitrate Synonym
- Zircosol ZN Synonym
- Dinitratooxozirconium Synonym
- NSC 148480 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 231.23 g/mol | CAS Common Chemistry |
| 231.231 g/mol | RDKit | |
| 239.295 g/mol | chempirical lib | |
| 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 |
| -0.5995 | RDKit | |
| Molar Refractivity | 21.4093 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 229.87525474 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 231.23 g/mol. Edit any field — others recompute live.
