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Molecule
Zirconium Nitrate
CAS: 13746-89-9 · HNO3Zr
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13746-89-9
- Molecular Formula
- HNO3Zr
- Molecular Mass
- 154.24 g/mol
Identifiers
CAS Registry Number
13746-89-9
SMILES
O=[N+]([O-])O.[Zr]
InChI Key
FTWGTNVTSDGLFG-UHFFFAOYSA-N
InChI
InChI=1S/HNO3.Zr/c2-1(3)4;/h(H,2,3,4);
Names and Synonyms
- Zirconium Nitrate Synonym
- Nitric acid, zirconium(4+) salt (4:1) Synonym
- Nitric acid, zirconium(4+) salt Synonym
- Zirconium nitrate Synonym
- Zirconium nitrate (Zr(NO3)4) Synonym
- Zirconium tetranitrate Synonym
- Tetranitratozirconium Synonym
- Zirconium(IV) nitrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.24 g/mol | CAS Common Chemistry |
| 154.23600000000002 g/mol | RDKit | |
| 154.236 g/mol | RDKit | |
| 158.268 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Zirconium_nitrate | CAS Common Chemistry |
| Canonical SMILES | [Zr].O=N(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/HNO3.Zr/c2-1(3)4;/h(H,2,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=FTWGTNVTSDGLFG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Zirconium nitrate | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.370000000000005 Ų | RDKit |
| 63.37 Ų | RDKit | |
| 58.53 Ų | chempirical lib | |
| LogP | -0.3502 | RDKit |
| Molar Refractivity | 8.7809 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 152.90034729200002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
External Resources
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MW = 154.24 g/mol. Edit any field — others recompute live.
