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Molecule
Sodium Monofluorophosphate
CAS: 7631-97-2 · H2FNaO3P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7631-97-2
- Molecular Formula
- H2FNaO3P
- Molecular Mass
- 122.98 g/mol
Identifiers
CAS Registry Number
7631-97-2
SMILES
O=P(O)(O)F.[Na]
InChI Key
PRVAPUQJIWBZPW-UHFFFAOYSA-N
InChI
InChI=1S/FH2O3P.Na/c1-5(2,3)4;/h(H2,2,3,4);
Names and Synonyms
- Sodium Monofluorophosphate Synonym
- Phosphorofluoridic acid, sodium salt (1:?) Synonym
- Phosphorofluoridic acid, sodium salt Synonym
- Sodium monofluorophosphate Synonym
- Sodium phosphorofluoridate Synonym
- Sodium fluorophosphate Synonym
- MFP gel Synonym
- MFP varnish Synonym
- MFP Synonym
- Monoflor Synonym
- Acorea Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 122.98 g/mol | CAS Common Chemistry |
| 122.975 g/mol | RDKit | |
| 123.983 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=P(F)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/FH2O3P.Na/c1-5(2,3)4;/h(H2,2,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=PRVAPUQJIWBZPW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium monofluorophosphate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | -0.33220000000000005 | RDKit |
| -0.3322 | RDKit | |
| Molar Refractivity | 18.9061 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 122.96232805400001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 122.98 g/mol. Edit any field — others recompute live.
