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Molecule
Neodymium(Iii) Bromide
CAS: 13536-80-6 · Br3Nd
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13536-80-6
- Molecular Formula
- Br3Nd
- Molecular Mass
- 383.95 g/mol
Identifiers
CAS Registry Number
13536-80-6
SMILES
[Br-].[Br-].[Br-].[Nd+3]
InChI Key
LBWLQVSRPJHLEY-UHFFFAOYSA-K
InChI
InChI=1S/3BrH.Nd/h3*1H;/q;;;+3/p-3
Names and Synonyms
- Neodymium(Iii) Bromide Synonym
- Neodymium bromide (NdBr3) Synonym
- Neodymium tribromide Synonym
- Neodymium(3+) bromide Synonym
- Neodymium bromide Synonym
- NSC 158924 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 383.95 g/mol | CAS Common Chemistry |
| 383.952 g/mol | RDKit | |
| 390.002 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Neodymium(III)_bromide | CAS Common Chemistry |
| Canonical SMILES | Br[Nd](Br)Br | CAS Common Chemistry |
| InChI | InChI=1S/3BrH.Nd/h3*1H;/q;;;+3/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=LBWLQVSRPJHLEY-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Neodymium bromide (NdBr3) | 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 | 378.66273459999996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 383.95 g/mol. Edit any field — others recompute live.
