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Molecule
Bromine Dioxide
CAS: 21255-83-4 · BrO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 21255-83-4
- Molecular Formula
- BrO2
- Molecular Mass
- 111.90 g/mol
Identifiers
CAS Registry Number
21255-83-4
SMILES
[O][Br+][O-]
InChI Key
SISAYUDTHCIGLM-UHFFFAOYSA-N
InChI
InChI=1S/BrO2/c2-1-3
Names and Synonyms
- Bromine Dioxide Synonym
- Bromine oxide (BrO2) Synonym
- Bromine dioxide Synonym
- Bromium dioxide radical Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Name | Bromine dioxide | CAS Common Chemistry |
| Bromine oxide (BrO2) | CAS Common Chemistry | |
| Molecular Mass | 111.90 g/mol | CAS Common Chemistry |
| 111.90199999999999 g/mol | RDKit | |
| 111.902 g/mol | RDKit | |
| 112.91 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bromine_dioxide | CAS Common Chemistry |
| Canonical SMILES | O=Br=O | CAS Common Chemistry |
| InChI | InChI=1S/BrO2/c2-1-3 | CAS Common Chemistry |
| InChI Key | InChIKey=SISAYUDTHCIGLM-UHFFFAOYSA-N | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 42.959999999999994 Ų | RDKit |
| 42.96 Ų | RDKit | |
| LogP | -1.3078 | RDKit |
| Molar Refractivity | 0.6865 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 110.90816634000001 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 |
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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 = 111.90 g/mol. Edit any field — others recompute live.
