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Molecule
Cerium Chloride (Cecl3), Hydrate
CAS: 19423-76-8 · H2CeCl3O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19423-76-8
- Molecular Formula
- H2CeCl3O
- Molecular Mass
- 264.49 g/mol
Identifiers
CAS Registry Number
19423-76-8
SMILES
O.[Ce+3].[Cl-].[Cl-].[Cl-]
InChI Key
SMKFCFKIYPLYNY-UHFFFAOYSA-K
InChI
InChI=1S/Ce.3ClH.H2O/h;3*1H;1H2/q+3;;;;/p-3
Names and Synonyms
- Cerium Chloride (Cecl3), Hydrate Systematic Name
- Cerium chloride (CeCl3), hydrate Synonym
- Cerium trichloride hydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 264.49 g/mol | CAS Common Chemistry |
| 270.529 g/mol | chempirical lib | |
| Canonical SMILES | Cl[Ce](Cl)Cl.O | CAS Common Chemistry |
| InChI | InChI=1S/Ce.3ClH.H2O/h;3*1H;1H2/q+3;;;;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=SMKFCFKIYPLYNY-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Cerium chloride (CeCl3), 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 | -9.8127 | RDKit |
| Molar Refractivity | 3.6138 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 262.822561424 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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 = 264.49 g/mol. Edit any field — others recompute live.
