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Mercurate(2-), Tetraiodo-, Barium (1:1), (T-4)-
CAS: 10048-99-4 | BaHgI4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10048-99-4
Molecular Formula:
BaHgI4
Molecular Mass:
845.53 g/mol
Names and Synonyms:
Mercurate(2-), Tetraiodo-, Barium (1:1), (T-4)-
Mercurate(2-), tetraiodo-, barium (1:1), (T-4)-
Mercurate(2-), tetraiodo-, barium
Barium mercury iodide (BaHgI4)
Barium mercuric iodide
Barium tetraiodomercurate(2-) (1:1)
Barium tetraiodomercurate
Identifiers:
SMILES:
[Ba+2].[Hg+2].[I-].[I-].[I-].[I-]
InChI:
InChI=1S/Ba.Hg.4HI/h;;4*1H/q2*+2;;;;/p-4
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 | 845.53 g/mol | CAS Common Chemistry |
| 845.534 g/mol | RDKit | |
| 847.4937821999999 g/mol | RDKit | |
| Canonical SMILES | [Ba+2].[I-][Hg+2]([I-])([I-])[I-] | CAS Common Chemistry |
| InChI | InChI=1S/Ba.Hg.4HI/h;;4*1H/q2*+2;;;;/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=LLDBJTHCIWPPKQ-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Mercurate(2-), tetraiodo-, barium (1:1), (T-4)- | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -12.3673 | RDKit |
| Molar Refractivity | 5.754 | RDKit |
