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Molecule
Erbium(Iii) Iodide
CAS: 13813-42-8 · ErI3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13813-42-8
- Molecular Formula
- ErI3
- Molecular Mass
- 547.97 g/mol
Identifiers
CAS Registry Number
13813-42-8
SMILES
[Er+3].[I-].[I-].[I-]
InChI Key
OKVQKDALNLHZLB-UHFFFAOYSA-K
InChI
InChI=1S/Er.3HI/h;3*1H/q+3;;;/p-3
Names and Synonyms
- Erbium(Iii) Iodide Synonym
- Erbium iodide (ErI3) Synonym
- Erbium triiodide Synonym
- Erbium iodide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 547.97 g/mol | CAS Common Chemistry |
| 547.972 g/mol | RDKit | |
| 554.019 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Erbium(III)_iodide | CAS Common Chemistry |
| Canonical SMILES | I[Er](I)I | CAS Common Chemistry |
| InChI | InChI=1S/Er.3HI/h;3*1H/q+3;;;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=OKVQKDALNLHZLB-UHFFFAOYSA-K | CAS Common Chemistry |
| Melting Point | 1020 °C | CAS Common Chemistry |
| Name | Erbium iodide (ErI3) | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -8.988 | RDKit |
| Molar Refractivity | 0.0 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 546.6437120999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 547.97 g/mol. Edit any field — others recompute live.
