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Zirconium Hydride (Zrh2)
CAS: 7704-99-6 | H2Zr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7704-99-6
Molecular Formula:
H2Zr
Molecular Weight:
93.24000000000001 g/mol
Names and Synonyms:
Zirconium Hydride (Zrh2)
Synonym
Zirconium hydride (ZrH2)
Synonym
Zirconium dihydride
Synonym
Zirconium hydride
Synonym
Identifiers:
SMILES:
[H].[H].[Zr]
InChI:
InChI=1S/Zr.2H
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 93.24 g/mol | Legacy Database |
| cas-canonical-smile | [ZrH2] None | Legacy Database |
| cas-inchi | InChI=1S/Zr.2H None | Legacy Database |
| cas-inchi-key | InChIKey=QSGNKXDSTRDWKA-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Zirconium hydride (ZrH2) None | Legacy Database |
| LogP | 0.2225 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 93.24000000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 91.920354464 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 1 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 2.224 | RDKit |