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Molecule
Barium Bromate
CAS: 13967-90-3 · HBaBrO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13967-90-3
- Molecular Formula
- HBaBrO3
- Molecular Mass
- 266.24 g/mol
Identifiers
CAS Registry Number
13967-90-3
SMILES
[Ba].[O-][Br+2]([O-])O
InChI Key
JAFUQZMKRPEEPA-UHFFFAOYSA-N
InChI
InChI=1S/Ba.BrHO3/c;2-1(3)4/h;(H,2,3,4)
Names and Synonyms
- Barium Bromate Common Name
- Bromic acid, barium salt (2:1) Synonym
- Bromic acid, barium salt Synonym
- Barium bromate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 266.24 g/mol | CAS Common Chemistry |
| 266.23699999999997 g/mol | RDKit | |
| 266.237 g/mol | RDKit | |
| 268.252 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Barium_bromate | CAS Common Chemistry |
| Canonical SMILES | [Ba].O=Br(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/Ba.BrHO3/c;2-1(3)4/h;(H,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=JAFUQZMKRPEEPA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Barium bromate | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.35 Ų | RDKit |
| LogP | -3.3158 | RDKit |
| Molar Refractivity | 7.972799999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 265.816153192 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 266.24 g/mol. Edit any field — others recompute live.
