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Molecule
Erbium Trichloride Hexahydrate
CAS: 10025-75-9 · H12Cl3ErO6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10025-75-9
- Molecular Formula
- H12Cl3ErO6
- Molecular Mass
- 381.71 g/mol
Identifiers
CAS Registry Number
10025-75-9
SMILES
O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Er+3]
InChI Key
UJBPGOAZQSYXNT-UHFFFAOYSA-K
InChI
InChI=1S/3ClH.Er.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3
Names and Synonyms
- Erbium Trichloride Hexahydrate Common Name
- Erbium chloride (ErCl3), hexahydrate Synonym
- Erbium chloride hexahydrate Synonym
- Erbium trichloride hexahydrate Synonym
- Erbium chloride (ErCl3), hydrate (1:6) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 381.71 g/mol | CAS Common Chemistry |
| 381.709 g/mol | RDKit | |
| 387.747 g/mol | chempirical lib | |
| Canonical SMILES | Cl[Er](Cl)Cl.O | CAS Common Chemistry |
| InChI | InChI=1S/3ClH.Er.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=UJBPGOAZQSYXNT-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Erbium trichloride hexahydrate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 189.0 Ų | RDKit |
| LogP | -13.936199999999996 | RDKit |
| -13.9362 | RDKit | |
| Molar Refractivity | 21.682799999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 378.90023924400003 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 |
|---|
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 = 381.71 g/mol. Edit any field — others recompute live.
