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Molecule
Nickel Perchlorate Hexahydrate
CAS: 13520-61-1 · H7ClNiO7
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13520-61-1
- Molecular Formula
- H7ClNiO7
- Molecular Mass
- 213.19 g/mol
Identifiers
CAS Registry Number
13520-61-1
SMILES
O.O.O.[Ni].[O-][Cl+3]([O-])([O-])O
InChI Key
USHGGDOEMMBXHK-UHFFFAOYSA-N
InChI
InChI=1S/ClHO4.Ni.3H2O/c2-1(3,4)5;;;;/h(H,2,3,4,5);;3*1H2
Names and Synonyms
- Nickel Perchlorate Hexahydrate Synonym
- Perchloric acid, nickel(2+) salt, hexahydrate Synonym
- Nickel perchlorate (Ni(ClO4)2) hexahydrate Synonym
- Nickelous perchlorate hexahydrate Synonym
- Nickel diperchlorate hexahydrate Synonym
- Nickel perchlorate hexahydrate Synonym
- Nickel(2+) perchlorate hexahydrate Synonym
- Nickel perchlorate hexahydrate (Ni(ClO4)2.6H2O) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 213.19 g/mol | CAS Common Chemistry |
| 213.195 g/mol | RDKit | |
| 215.208 g/mol | chempirical lib | |
| Canonical SMILES | [Ni].O=Cl(=O)(=O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/ClHO4.Ni.3H2O/c2-1(3,4)5;;;;/h(H,2,3,4,5);;3*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=USHGGDOEMMBXHK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Nickel perchlorate hexahydrate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 183.91 Ų | RDKit |
| LogP | -6.600599999999997 | RDKit |
| -6.6006 | RDKit | |
| Molar Refractivity | 13.060199999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 211.923373144 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 = 213.19 g/mol. Edit any field — others recompute live.
