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Molecule
Neodymium Iodide (Ndi3)
CAS: 13813-24-6 · I3Nd
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13813-24-6
- Molecular Formula
- I3Nd
- Molecular Mass
- 524.95 g/mol
Identifiers
CAS Registry Number
13813-24-6
SMILES
[I-].[I-].[I-].[Nd+3]
InChI Key
DKSXWSAKLYQPQE-UHFFFAOYSA-K
InChI
InChI=1S/3HI.Nd/h3*1H;/q;;;+3/p-3
Names and Synonyms
- Neodymium Iodide (Ndi3) Synonym
- Neodymium iodide (NdI3) Synonym
- Neodymium triiodide Synonym
- Neodymium iodide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Neodymium(III)_iodide | CAS Common Chemistry |
| Canonical SMILES | I[Nd](I)I | CAS Common Chemistry |
| Molecular Mass | 524.95 g/mol | CAS Common Chemistry |
| 524.952 g/mol | RDKit | |
| 531.002 g/mol | chempirical lib | |
| InChI | InChI=1S/3HI.Nd/h3*1H;/q;;;+3/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=DKSXWSAKLYQPQE-UHFFFAOYSA-K | CAS Common Chemistry |
| Melting Point | 775 °C (decomp) | CAS Common Chemistry |
| Name | Neodymium iodide (NdI3) | 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 | 522.6211423000001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 524.95 g/mol. Edit any field — others recompute live.
