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Cerium Chloride (Cecl3), Hydrate
CAS: 19423-76-8 | H2CeCl3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19423-76-8
Molecular Formula:
H2CeCl3O
Molecular Mass:
264.49 g/mol
Names and Synonyms:
Cerium Chloride (Cecl3), Hydrate
Cerium chloride (CeCl3), hydrate
Cerium trichloride hydrate
Identifiers:
SMILES:
O.[Ce+3].[Cl-].[Cl-].[Cl-]
InChI:
InChI=1S/Ce.3ClH.H2O/h;3*1H;1H2/q+3;;;;/p-3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 264.49 g/mol | CAS Common Chemistry |
| 262.822561424 g/mol | RDKit | |
| 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 | RDKit |
