Back to Search
Tetrachloroauric Acid Trihydrate
CAS: 16961-25-4 | H7AuCl4O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16961-25-4
Molecular Formula:
H7AuCl4O3
Molecular Mass:
393.83 g/mol
Names and Synonyms:
Tetrachloroauric Acid Trihydrate
Aurate(1-), tetrachloro-, hydrogen, trihydrate, (SP-4-1)-
Aurate(1-), tetrachloro-, hydrogen, trihydrate
Gold chloride, acid, trihydrate
Gold acid chloride trihydrate
Gold acid chloride
Hydrogen tetrachloroaurate(1-) trihydrate
Tetrachloroauric acid trihydrate
Hydrogen tetrachloroaurate(III) trihydrate
Chloroauric acid trihydrate
Identifiers:
SMILES:
Cl.O.O.O.[Au+3].[Cl-].[Cl-].[Cl-]
InChI:
InChI=1S/Au.4ClH.3H2O/h;4*1H;3*1H2/q+3;;;;;;;/p-3
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 393.83 g/mol | CAS Common Chemistry |
| 393.832 g/mol | RDKit | |
| 391.88149850400004 g/mol | RDKit | |
| Canonical SMILES | [H+].[Cl-][Au+3]([Cl-])([Cl-])[Cl-].O | CAS Common Chemistry |
| InChI | InChI=1S/Au.4ClH.3H2O/h;4*1H;3*1H2/q+3;;;;;;;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=XYYVDQWGDNRQDA-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Tetrachloroauric acid trihydrate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 94.5 Ų | RDKit |
| LogP | -11.042799999999998 | RDKit |
| Molar Refractivity | 18.089399999999998 | RDKit |
