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Molecule
Barium Iodide (Bai2), Dihydrate
CAS: 7787-33-9 · H4BaI2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7787-33-9
- Molecular Formula
- H4BaI2O2
- Molecular Mass
- 427.17 g/mol
Identifiers
CAS Registry Number
7787-33-9
SMILES
O.O.[Ba+2].[I-].[I-]
InChI Key
LRUCFPBOVNFNMO-UHFFFAOYSA-L
InChI
InChI=1S/Ba.2HI.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2
Names and Synonyms
- Barium Iodide (Bai2), Dihydrate Systematic Name
- Barium iodide (BaI2), dihydrate Synonym
- Barium iodide, dihydrate Synonym
- Barium diiodide dihydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Barium_iodide_dihydrate | CAS Common Chemistry |
| Molecular Mass | 427.17 g/mol | CAS Common Chemistry |
| 427.73532256799996 g/mol | RDKit | |
| 427.166 g/mol | RDKit | |
| 431.197 g/mol | chempirical lib | |
| Canonical SMILES | I[Ba]I.O | CAS Common Chemistry |
| InChI | InChI=1S/Ba.2HI.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=LRUCFPBOVNFNMO-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Barium iodide (BaI2), dihydrate | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.0 Ų | RDKit |
| LogP | -8.022199999999998 | RDKit |
| -8.0222 | RDKit | |
| Molar Refractivity | 12.981599999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 427.166 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 427.17 g/mol. Edit any field — others recompute live.
