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Molecule
Acetic Acid, 2,2,2-Trifluoro-, Mercury(2+) Salt (2:1)
CAS: 13257-51-7 · C2HF3HgO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13257-51-7
- Molecular Formula
- C2HF3HgO2
- Molecular Mass
- 314.612 g/mol
Identifiers
CAS Registry Number
13257-51-7
SMILES
O=C(O)C(F)(F)F.[Hg]
InChI Key
CPJNAQDRGJNWFC-UHFFFAOYSA-N
InChI
InChI=1S/C2HF3O2.Hg/c3-2(4,5)1(6)7;/h(H,6,7);
Names and Synonyms
- Acetic Acid, 2,2,2-Trifluoro-, Mercury(2+) Salt (2:1) Systematic Name
- Acetic acid, 2,2,2-trifluoro-, mercury(2+) salt (2:1) Synonym
- Acetic acid, trifluoro-, mercury(2+) salt Synonym
- Mercuric trifluoroacetate Synonym
- Trifluoroacetic acid mercury(2+) salt Synonym
- Bis(trifluoroacetato)mercury Synonym
- Mercury(II) trifluoroacetate Synonym
- Mercury bis(trifluoroacetate) Synonym
- Mercury(2+) trifluoroacetate Synonym
- Mercury(II) bis(trifluoroacetate) Synonym
- Bis(trifluoroacetoxy)mercury Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | [Hg].O=C(O)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C2HF3O2.Hg/c3-2(4,5)1(6)7;/h(H,6,7); | CAS Common Chemistry |
| InChI Key | InChIKey=CPJNAQDRGJNWFC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 164-168 °C | CAS Common Chemistry |
| Name | Acetic acid, 2,2,2-trifluoro-, mercury(2+) salt (2:1) | CAS Common Chemistry |
| Molecular Mass | 314.612 g/mol | RDKit |
| 315.96350693200003 g/mol | RDKit | |
| 315.622 g/mol | chempirical lib | |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 0.6308 | RDKit |
| Molar Refractivity | 13.690800000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 314.61 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 314.61 g/mol. Edit any field — others recompute live.
