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Molecule
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 Mass
- 98.90 g/mol
Identifiers
CAS Registry Number
13863-59-7
SMILES
FBr
InChI Key
MZJUGRUTVANEDW-UHFFFAOYSA-N
InChI
InChI=1S/BrF/c1-2
Names and Synonyms
- Bromine Monofluoride Synonym
- Bromine fluoride (BrF) Synonym
- Bromine monofluoride Synonym
- Bromine monofluoride (BrF) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 98.90 g/mol | CAS Common Chemistry |
| 98.902 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bromine_monofluoride | CAS Common Chemistry |
| Canonical SMILES | FBr | CAS Common Chemistry |
| InChI | InChI=1S/BrF/c1-2 | CAS Common Chemistry |
| InChI Key | InChIKey=MZJUGRUTVANEDW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bromine fluoride (BrF) | CAS Common Chemistry |
| Bromine monofluoride | CAS Common Chemistry | |
| Heavy Atom Count | 2 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.2658 | RDKit |
| 1.29 | chempirical lib | |
| Molar Refractivity | 10.035 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 97.91674032 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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.
External Resources
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MW = 98.90 g/mol. Edit any field — others recompute live.
