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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
Names and Synonyms:
Neodymium(Iii) Fluoride
Neodymium fluoride (NdF3)
Neodymium trifluoride
Neodymium fluoride
Neodymium trifluoride (NdF3)
Identifiers:
SMILES:
[F-].[F-].[F-].[Nd+3]
InChI:
InChI=1S/3FH.Nd/h3*1H;/q;;;+3/p-3
Key Properties
Melting Point
1410 °C
CAS Common Chemistry
Density
6.51 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 201.23 g/mol | CAS Common Chemistry |
| 201.234 g/mol | RDKit | |
| 198.90293296 g/mol | RDKit | |
| 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 |
| Neodymium(III) fluoride | 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 | RDKit |
