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Molecule
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
- 845.534 g/mol
Identifiers
CAS Registry Number
10048-99-4
SMILES
[Ba+2].[Hg+2].[I-].[I-].[I-].[I-]
InChI Key
LLDBJTHCIWPPKQ-UHFFFAOYSA-J
InChI
InChI=1S/Ba.Hg.4HI/h;;4*1H/q2*+2;;;;/p-4
Names and Synonyms
- Mercurate(2-), Tetraiodo-, Barium (1:1), (T-4)- Systematic Name
- Mercurate(2-), tetraiodo-, barium (1:1), (T-4)- Synonym
- Mercurate(2-), tetraiodo-, barium Synonym
- Barium mercury iodide (BaHgI4) Synonym
- Barium mercuric iodide Synonym
- Barium tetraiodomercurate(2-) (1:1) Synonym
- Barium tetraiodomercurate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| 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 |
| Molecular Mass | 845.534 g/mol | RDKit |
| 847.4937821999999 g/mol | RDKit | |
| 852.591 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 845.53 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 845.53 g/mol. Edit any field — others recompute live.
