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Molecule
Bismuth Oxybromide
CAS: 7787-57-7 · BiBrO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7787-57-7
- Molecular Formula
- BiBrO
- Molecular Mass
- 304.88 g/mol
Identifiers
CAS Registry Number
7787-57-7
SMILES
[Bi+].[Br-].[O]
InChI Key
MXCHXTNSCYEQSX-UHFFFAOYSA-M
InChI
InChI=1S/Bi.BrH.O/h;1H;/q+1;;/p-1
Names and Synonyms
- Bismuth Oxybromide Common Name
- Bismuthine, bromooxo- Synonym
- Bismuth bromide oxide (BiOBr) Synonym
- Bromooxobismuthine Synonym
- Basic bismuth bromide Synonym
- Bismuth oxybromide Synonym
- Bismuth subbromide Synonym
- Bismuthyl bromide Synonym
- Bismuth bromide oxide Synonym
- Bismuth bromide oxide (BiBrO) Synonym
- Bismuth oxide bromide (BiOBr) Synonym
- Bismuth monobromide monooxide Synonym
- Bismuth oxybromide (BiOBr) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 304.88 g/mol | CAS Common Chemistry |
| 304.88300000000004 g/mol | RDKit | |
| 304.883 g/mol | RDKit | |
| 310.931 g/mol | chempirical lib | |
| Canonical SMILES | O=[Bi]Br | CAS Common Chemistry |
| InChI | InChI=1S/Bi.BrH.O/h;1H;/q+1;;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=MXCHXTNSCYEQSX-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Bismuth oxybromide | 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 | 28.5 Ų | RDKit |
| LogP | -3.4956 | RDKit |
| Molar Refractivity | 6.440499999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 303.89365042 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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120
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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 = 304.88 g/mol. Edit any field — others recompute live.
