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Bromine Monofluoride
CAS: 13863-59-7 | BrF
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13863-59-7
Molecular Formula:
BrF
Molecular Weight:
98.902 g/mol
Names and Synonyms:
Bromine Monofluoride
Bromine fluoride (BrF)
Bromine monofluoride
Bromine monofluoride (BrF)
Identifiers:
SMILES:
FBr
InChI:
InChI=1S/BrF/c1-2
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 |
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 98.90 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Bromine_monofluoride None | Legacy Database |
| cas-canonical-smile | FBr None | Legacy Database |
| cas-inchi | InChI=1S/BrF/c1-2 None | Legacy Database |
| cas-inchi-key | InChIKey=MZJUGRUTVANEDW-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Bromine fluoride (BrF) None | Legacy Database |
| wikipedia-name | Bromine monofluoride None | Legacy Database |
| LogP | 1.2658 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 98.902 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 97.91674032 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 2 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 10.035 | RDKit |
