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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
Names and Synonyms:
Bismuth Oxybromide
Bismuthine, bromooxo-
Bismuth bromide oxide (BiOBr)
Bromooxobismuthine
Basic bismuth bromide
Bismuth oxybromide
Bismuth subbromide
Bismuthyl bromide
Bismuth bromide oxide
Bismuth bromide oxide (BiBrO)
Bismuth oxide bromide (BiOBr)
Bismuth monobromide monooxide
Bismuth oxybromide (BiOBr)
Identifiers:
SMILES:
[Bi+].[Br-].[O]
InChI:
InChI=1S/Bi.BrH.O/h;1H;/q+1;;/p-1
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 | 304.88 g/mol | CAS Common Chemistry |
| 304.88300000000004 g/mol | RDKit | |
| 303.89365042 g/mol | RDKit | |
| 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 | RDKit |
