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Molecule
Ruthenium Trichloride Trihydrate
CAS: 13815-94-6 · H6Cl3O3Ru
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13815-94-6
- Molecular Formula
- H6Cl3O3Ru
- Molecular Mass
- 261.47 g/mol
Identifiers
CAS Registry Number
13815-94-6
SMILES
O.O.O.[Cl-].[Cl-].[Cl-].[Ru+3]
InChI Key
ZTWIEIFKPFJRLV-UHFFFAOYSA-K
InChI
InChI=1S/3ClH.3H2O.Ru/h3*1H;3*1H2;/q;;;;;;+3/p-3
Names and Synonyms
- Ruthenium Trichloride Trihydrate Synonym
- Ruthenium chloride (RuCl3), trihydrate Synonym
- Ruthenium trichloride trihydrate Synonym
- Ruthenium(3+) trichloride trihydrate Synonym
- Ruthenium chloride trihydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 261.47 g/mol | CAS Common Chemistry |
| 261.474 g/mol | RDKit | |
| 267.513 g/mol | chempirical lib | |
| Canonical SMILES | Cl[Ru](Cl)Cl.O | CAS Common Chemistry |
| InChI | InChI=1S/3ClH.3H2O.Ru/h3*1H;3*1H2;/q;;;;;;+3/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZTWIEIFKPFJRLV-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Ruthenium trichloride trihydrate | 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 | 94.5 Ų | RDKit |
| LogP | -11.464599999999997 | RDKit |
| -11.4646 | RDKit | |
| Molar Refractivity | 10.841399999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 260.842601392 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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 = 261.47 g/mol. Edit any field — others recompute live.
