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Sodium Monofluorophosphate
CAS: 10163-15-2 | H2FNa2O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10163-15-2
Molecular Formula:
H2FNa2O3P
Molecular Weight:
145.965 g/mol
Names and Synonyms:
Sodium Monofluorophosphate
Phosphorofluoridic acid, sodium salt (1:2)
Phosphorofluoridic acid, disodium salt
Sodium phosphorofluoridate ((NaO)2FPO)
Disodium phosphorofluoridate
Sodium fluorophosphate (Na2PO3F)
Disodium fluorophosphate
Disodium monofluorophosphate
Sodium phosphorofluoridate (Na2PO3F)
Sodium fluorophosphate (Na2PFO3)
Sensodyne-Fluor
Phoskadent Na 211
Sodium monofluorophosphate
Identifiers:
SMILES:
O=P(O)(O)F.[Na].[Na]
InChI:
InChI=1S/FH2O3P.2Na/c1-5(2,3)4;;/h(H2,2,3,4);;
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 145.965 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 145.952097334 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 57.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.7130000000000001 | RDKit |
| molecular_mass | 145.97 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sodium_monofluorophosphate None | Legacy Database |
| cas-canonical-smile | [Na].O=P(F)(O)O None | Legacy Database |
| cas-inchi | InChI=1S/FH2O3P.2Na/c1-5(2,3)4;;/h(H2,2,3,4);; None | Legacy Database |
| cas-inchi-key | InChIKey=PHMQTGQSPVTVPY-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Disodium monofluorophosphate None | Legacy Database |
| wikipedia-name | Sodium monofluorophosphate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 24.6601 | RDKit |
