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Molecule
Fluorozirconic Acid
CAS: 12021-95-3 · H2F6Zr
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12021-95-3
- Molecular Formula
- H2F6Zr
- Molecular Mass
- 207.23 g/mol
Identifiers
CAS Registry Number
12021-95-3
SMILES
F.F.[F-].[F-].[F-].[F-].[Zr+4]
InChI Key
DXIGZHYPWYIZLM-UHFFFAOYSA-J
InChI
InChI=1S/6FH.Zr/h6*1H;/q;;;;;;+4/p-4
Names and Synonyms
- Fluorozirconic Acid Common Name
- Zirconate(2-), hexafluoro-, hydrogen (1:2), (OC-6-11)- Synonym
- Zirconate(2-), hexafluoro-, dihydrogen Synonym
- Zirconate(2-), hexafluoro-, dihydrogen, (OC-6-11)- Synonym
- Hydrogen hexafluorozirconate(IV) Synonym
- Fluozirconic(IV) acid (H2ZrF6) Synonym
- Dihydrogen hexafluorozirconate(2-) Synonym
- Fluorozirconic acid Synonym
- Hydrogen zirconium fluoride (H2ZrF6) Synonym
- Hexafluorozirconium acid Synonym
- Nanotex ZR 16 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 207.23 g/mol | CAS Common Chemistry |
| 207.228 g/mol | RDKit | |
| 215.292 g/mol | chempirical lib | |
| Canonical SMILES | [H+].[F-][Zr+4]([F-])([F-])([F-])([F-])[F-] | CAS Common Chemistry |
| InChI | InChI=1S/6FH.Zr/h6*1H;/q;;;;;;+4/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=DXIGZHYPWYIZLM-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Fluorozirconic acid | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | -11.6815 | RDKit |
| Molar Refractivity | 5.006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 205.910773784 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 207.23 g/mol. Edit any field — others recompute live.
