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Molecule
Neodymium(Iii) Fluoride
CAS: 13709-42-7 · F3Nd
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13709-42-7
- Molecular Formula
- F3Nd
- Molecular Mass
- 201.23 g/mol
Identifiers
CAS Registry Number
13709-42-7
SMILES
[F-].[F-].[F-].[Nd+3]
InChI Key
XRADHEAKQRNYQQ-UHFFFAOYSA-K
InChI
InChI=1S/3FH.Nd/h3*1H;/q;;;+3/p-3
Names and Synonyms
- Neodymium(Iii) Fluoride Common Name
- Neodymium fluoride (NdF3) Synonym
- Neodymium trifluoride Synonym
- Neodymium fluoride Synonym
- Neodymium trifluoride (NdF3) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 201.23 g/mol | CAS Common Chemistry |
| 201.234 g/mol | RDKit | |
| 207.284 g/mol | chempirical lib | |
| Density | 6.51 g/cm³ | CAS Common Chemistry |
| 6.505 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Neodymium(III)_fluoride | CAS Common Chemistry |
| Canonical SMILES | F[Nd](F)F | CAS Common Chemistry |
| InChI | InChI=1S/3FH.Nd/h3*1H;/q;;;+3/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=XRADHEAKQRNYQQ-UHFFFAOYSA-K | CAS Common Chemistry |
| Melting Point | 1410 °C | CAS Common Chemistry |
| Name | Neodymium fluoride (NdF3) | 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 | 198.90293296 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 201.23 g/mol; density = 6.510 g/mL. Edit any field — others recompute live.
