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Sodium Monofluorophosphate
CAS: 7631-97-2 | H2FNaO3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7631-97-2
Molecular Formula:
H2FNaO3P
Molecular Weight:
122.975 g/mol
Names and Synonyms:
Sodium Monofluorophosphate
Phosphorofluoridic acid, sodium salt (1:?)
Phosphorofluoridic acid, sodium salt
Sodium monofluorophosphate
Sodium phosphorofluoridate
Sodium fluorophosphate
MFP gel
MFP varnish
MFP
Monoflor
Acorea
Identifiers:
SMILES:
O=P(O)(O)F.[Na]
InChI:
InChI=1S/FH2O3P.Na/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 | 122.975 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 122.96232805400001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 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 | -0.33220000000000005 | RDKit |
| molecular_mass | 122.98 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=P(F)(O)O None | Legacy Database |
| cas-inchi | InChI=1S/FH2O3P.Na/c1-5(2,3)4;/h(H2,2,3,4); None | Legacy Database |
| cas-inchi-key | InChIKey=PRVAPUQJIWBZPW-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Sodium monofluorophosphate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 18.9061 | RDKit |
