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Sodium Fluoroacetate
CAS: 62-74-8 | C2H3FNaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
62-74-8
Molecular Formula:
C2H3FNaO2
Molecular Weight:
101.032 g/mol
Names and Synonyms:
Sodium Fluoroacetate
Acetic acid, 2-fluoro-, sodium salt (1:1)
Acetic acid, fluoro-, sodium salt
1080
Fluoroacetic acid sodium salt
Sodium fluoroacetate
Sodium monofluoroacetate
Furatol
Compound 1080
Ratbane 1080
SMFA
Fratol
Tenate
Identifiers:
SMILES:
O=C(O)CF.[Na]
InChI:
InChI=1S/C2H3FO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);
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 | 101.032 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 101.00147683600001 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 | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 37.3 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.34030000000000005 | RDKit |
| cas-melting-point | 201 °C None | Legacy Database |
| molecular_mass | 101.03 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sodium_fluoroacetate None | Legacy Database |
| cas-boiling-point | 105-106 °C None | Legacy Database |
| cas-canonical-smile | [Na].O=C(O)CF None | Legacy Database |
| cas-inchi | InChI=1S/C2H3FO2.Na/c3-1-2(4)5;/h1H2,(H,4,5); None | Legacy Database |
| cas-inchi-key | InChIKey=USQSMTBTMHHOKG-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Sodium fluoroacetate None | Legacy Database |
| wikipedia-name | Sodium fluoroacetate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.3648 | RDKit |
