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Molecule
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 Mass
- 93.24 g/mol
Identifiers
CAS Registry Number
7704-99-6
SMILES
[H].[H].[Zr]
InChI Key
QSGNKXDSTRDWKA-UHFFFAOYSA-N
InChI
InChI=1S/Zr.2H
Names and Synonyms
- Zirconium Hydride (Zrh2) Synonym
- Zirconium hydride (ZrH2) Synonym
- Zirconium dihydride Synonym
- Zirconium hydride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Zirconium(II)_hydride | CAS Common Chemistry |
| Molecular Mass | 93.24 g/mol | CAS Common Chemistry |
| 93.24000000000001 g/mol | RDKit | |
| 97.272 g/mol | chempirical lib | |
| Canonical SMILES | [ZrH2] | CAS Common Chemistry |
| InChI | InChI=1S/Zr.2H | CAS Common Chemistry |
| InChI Key | InChIKey=QSGNKXDSTRDWKA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Zirconium hydride (ZrH2) | CAS Common Chemistry |
| Heavy Atom Count | 1 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 0.2225 | RDKit |
| Molar Refractivity | 2.224 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 91.920354464 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 93.24 g/mol. Edit any field — others recompute live.
