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Molecule
Ruthenium Trichloride Hydrate
CAS: 14898-67-0 · H2Cl3ORu
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14898-67-0
- Molecular Formula
- H2Cl3ORu
- Molecular Mass
- 225.44 g/mol
Identifiers
CAS Registry Number
14898-67-0
SMILES
O.[Cl-].[Cl-].[Cl-].[Ru+3]
InChI Key
BIXNGBXQRRXPLM-UHFFFAOYSA-K
InChI
InChI=1S/3ClH.H2O.Ru/h3*1H;1H2;/q;;;;+3/p-3
Names and Synonyms
- Ruthenium Trichloride Hydrate Common Name
- Ruthenium chloride (RuCl3), hydrate Synonym
- Ruthenium(III) chloride hydrate Synonym
- Ruthenium trichloride hydrate Synonym
- Ruthenium chloride hydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 225.44 g/mol | CAS Common Chemistry |
| 225.44400000000002 g/mol | RDKit | |
| 225.444 g/mol | RDKit | |
| 231.483 g/mol | chempirical lib | |
| Canonical SMILES | Cl[Ru](Cl)Cl.O | CAS Common Chemistry |
| InChI | InChI=1S/3ClH.H2O.Ru/h3*1H;1H2;/q;;;;+3/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=BIXNGBXQRRXPLM-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Ruthenium trichloride hydrate | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 31.5 Ų | RDKit |
| LogP | -9.815199999999999 | RDKit |
| -9.8152 | RDKit | |
| Molar Refractivity | 3.6138 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 224.821472024 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
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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 = 225.44 g/mol. Edit any field — others recompute live.
