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Molecule
Fluorophosphoric Acid
CAS: 13537-32-1 · H2FO3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13537-32-1
- Molecular Formula
- H2FO3P
- Molecular Mass
- 99.99 g/mol
Identifiers
CAS Registry Number
13537-32-1
SMILES
O=P(O)(O)F
InChI Key
DWYMPOCYEZONEA-UHFFFAOYSA-N
InChI
InChI=1S/FH2O3P/c1-5(2,3)4/h(H2,2,3,4)
Names and Synonyms
- Fluorophosphoric Acid Synonym
- Phosphorofluoridic acid Synonym
- Fluorophosphonic acid (F(HO)2PO) Synonym
- Monofluorophosphoric acid Synonym
- Fluorophosphoric acid Synonym
- Fluorophosphoric acid (H2PO3F) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 99.99 g/mol | CAS Common Chemistry |
| 99.985 g/mol | RDKit | |
| Density | 1.82 g/cm³ | CAS Common Chemistry |
| 1.818 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fluorophosphoric_acid | CAS Common Chemistry |
| Canonical SMILES | O=P(F)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/FH2O3P/c1-5(2,3)4/h(H2,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=DWYMPOCYEZONEA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Phosphorofluoridic acid | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | 0.04859999999999998 | RDKit |
| 0.0486 | RDKit | |
| Molar Refractivity | 13.152099999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 99.972558774 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
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140
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100
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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 = 99.99 g/mol; density = 1.820 g/mL. Edit any field — others recompute live.
