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Nitrosonium Tetrafluoroborate
CAS: 14635-75-7 | H2BF4NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14635-75-7
Molecular Formula:
H2BF4NO
Molecular Weight:
118.82600000000002 g/mol
Names and Synonyms:
Nitrosonium Tetrafluoroborate
Nitrogen fluoroborate oxide (N(BF4)O)
Nitroso tetrafluoroborate
Nitrosonium tetrafluoroborate
Nitrosonium, tetrafluoroborate(1-)
Nitrosyl tetrafluoroborate (NO[BF4])
Nitrosyl tetrafluoroborate(1-)
Nitrosyl fluoroborate
Nitrosyl borofluoride
Nitrosyl tetrafluoroborate
Nitrosyl fluoborate
Borate(1-), tetrafluoro-, nitrosyl
Borate(1-), tetrafluoro-, nitrosyl (1:1)
Identifiers:
SMILES:
F[B-](F)(F)F.N[O+]
InChI:
InChI=1S/BF4.H2NO/c2-1(3,4)5;1-2/h;1H2/q-1;+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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 118.83 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Nitrosonium_tetrafluoroborate None | Legacy Database |
| cas-canonical-smile | [N+]=O.[F-][B+3]([F-])([F-])[F-] None | Legacy Database |
| cas-inchi | InChI=1S/BF4.H2NO/c2-1(3,4)5;1-2/h;1H2/q-1;+1 None | Legacy Database |
| cas-inchi-key | InChIKey=CYLOZTYJBXHMJA-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Nitrosonium tetrafluoroborate None | Legacy Database |
| wikipedia-name | Nitrosonium tetrafluoroborate None | Legacy Database |
| LogP | 0.5906000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 118.82600000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 119.016556964 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 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 | 45.92 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 15.059900000000003 | RDKit |
