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Barium Iodide
CAS: 13718-50-8 | BaI2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13718-50-8
Molecular Formula:
BaI2
Molecular Mass:
391.14 g/mol
Names and Synonyms:
Barium Iodide
Barium iodide (BaI2)
Barium iodide
Barium diiodide
Identifiers:
SMILES:
[Ba+2].[I-].[I-]
InChI:
InChI=1S/Ba.2HI/h;2*1H/q+2;;/p-2
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 | 391.14 g/mol | CAS Common Chemistry |
| 391.13599999999997 g/mol | RDKit | |
| 391.7141932 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Barium_iodide | CAS Common Chemistry |
| Canonical SMILES | I[Ba]I | CAS Common Chemistry |
| InChI | InChI=1S/Ba.2HI/h;2*1H/q+2;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=SGUXGJPBTNFBAD-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Barium iodide | CAS Common Chemistry |
| Heavy Atom Count | 3 | 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 | -6.3728 | RDKit |
| Molar Refractivity | 5.754 | RDKit |
