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Molecule
Rhodium Trichloride Hydrate
CAS: 20765-98-4 · H2Cl3ORh
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 20765-98-4
- Molecular Formula
- H2Cl3ORh
- Molecular Mass
- 227.28 g/mol
Identifiers
CAS Registry Number
20765-98-4
SMILES
O.[Cl-].[Cl-].[Cl-].[Rh+3]
InChI Key
HSSMNYDDDSNUKH-UHFFFAOYSA-K
InChI
InChI=1S/3ClH.H2O.Rh/h3*1H;1H2;/q;;;;+3/p-3
Names and Synonyms
- Rhodium Trichloride Hydrate Synonym
- Rhodium chloride (RhCl3), hydrate Synonym
- Rhodium chloride, hydrate Synonym
- Rhodium trichloride hydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 227.28 g/mol | CAS Common Chemistry |
| 227.28000000000003 g/mol | RDKit | |
| 233.319 g/mol | chempirical lib | |
| Canonical SMILES | Cl[Rh](Cl)Cl.O | CAS Common Chemistry |
| InChI | InChI=1S/3ClH.H2O.Rh/h3*1H;1H2;/q;;;;+3/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=HSSMNYDDDSNUKH-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Rhodium 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 | 225.82262672399997 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 = 227.28 g/mol. Edit any field — others recompute live.
