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Molecule
Silver Heptafluorobutyrate
CAS: 3794-64-7 · C4HAgF7O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3794-64-7
- Molecular Formula
- C4HAgF7O2
- Molecular Mass
- 321.90 g/mol
Identifiers
CAS Registry Number
3794-64-7
SMILES
O=C(O)C(F)(F)C(F)(F)C(F)(F)F.[Ag]
InChI Key
QARYCMDLEXWYCP-UHFFFAOYSA-N
InChI
InChI=1S/C4HF7O2.Ag/c5-2(6,1(12)13)3(7,8)4(9,10)11;/h(H,12,13);
Names and Synonyms
- Silver Heptafluorobutyrate Synonym
- Butanoic acid, heptafluoro-, silver(1+) salt Synonym
- 2,2,3,3,4,4,4-Heptafluorobutyric acid, silver(1+) salt Synonym
- Silver heptafluorobutanoate Synonym
- Silver perfluorobutanoate Synonym
- Silver heptafluorobutyrate Synonym
- Silver perfluorobutyrate Synonym
- Silver(I) perfluorobutyrate Synonym
- Silver(1+) heptafluorobutanoate Synonym
- Silver(I) heptafluorobutyrate Synonym
- Silver(1+) heptafluorobutyrate Synonym
- Silver(I) perfluorobutanoate Synonym
- Silver(I) heptafluorobutanoate Synonym
- Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, silver(1+) salt (1:1) Synonym
- Butyric acid, heptafluoro-, silver(1+) salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 321.90 g/mol | CAS Common Chemistry |
| 321.904 g/mol | RDKit | |
| 322.912 g/mol | chempirical lib | |
| Canonical SMILES | [Ag].O=C(O)C(F)(F)C(F)(F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C4HF7O2.Ag/c5-2(6,1(12)13)3(7,8)4(9,10)11;/h(H,12,13); | CAS Common Chemistry |
| InChI Key | InChIKey=QARYCMDLEXWYCP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 292-294 °C | CAS Common Chemistry |
| Name | Silver heptafluorobutyrate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 1.9014000000000002 | RDKit |
| 1.9014 | RDKit | |
| Molar Refractivity | 23.584800000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 320.89157381200005 g/mol | RDKit |
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 |
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200 ppm
180
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| 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.
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MW = 321.90 g/mol. Edit any field — others recompute live.
