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Molecule
Nickel Fluoride (Nif2), Tetrahydrate
CAS: 13940-83-5 · H8F2NiO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13940-83-5
- Molecular Formula
- H8F2NiO4
- Molecular Mass
- 168.75 g/mol
Identifiers
CAS Registry Number
13940-83-5
SMILES
O.O.O.O.[F-].[F-].[Ni+2]
InChI Key
HHPKUIWWHLVHQQ-UHFFFAOYSA-L
InChI
InChI=1S/2FH.Ni.4H2O/h2*1H;;4*1H2/q;;+2;;;;/p-2
Names and Synonyms
- Nickel Fluoride (Nif2), Tetrahydrate Systematic Name
- Nickel fluoride (NiF2), tetrahydrate Synonym
- Nickel difluoride tetrahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 168.75 g/mol | CAS Common Chemistry |
| 168.74900000000002 g/mol | RDKit | |
| 168.749 g/mol | RDKit | |
| 172.781 g/mol | chempirical lib | |
| Canonical SMILES | F[Ni]F.O | CAS Common Chemistry |
| InChI | InChI=1S/2FH.Ni.4H2O/h2*1H;;4*1H2/q;;+2;;;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=HHPKUIWWHLVHQQ-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Nickel fluoride (NiF2), tetrahydrate | 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 | 126.0 Ų | RDKit |
| LogP | -9.293299999999999 | RDKit |
| -9.2933 | RDKit | |
| Molar Refractivity | 14.455199999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 167.974408076 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| 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 = 168.75 g/mol. Edit any field — others recompute live.
