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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 Mass:
118.83 g/mol
Names and Synonyms:
Nitrosonium Tetrafluoroborate
Borate(1-), tetrafluoro-, nitrosyl (1:1)
Borate(1-), tetrafluoro-, nitrosyl
Nitrosyl fluoborate
Nitrosyl tetrafluoroborate
Nitrosyl borofluoride
Nitrosyl fluoroborate
Nitrosyl tetrafluoroborate(1-)
Nitrosyl tetrafluoroborate (NO[BF4])
Nitrosonium, tetrafluoroborate(1-)
Nitrosonium tetrafluoroborate
Nitroso tetrafluoroborate
Nitrogen fluoroborate oxide (N(BF4)O)
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 118.83 g/mol | CAS Common Chemistry |
| 118.82600000000002 g/mol | RDKit | |
| 119.016556964 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Nitrosonium_tetrafluoroborate | CAS Common Chemistry |
| Canonical SMILES | [N+]=O.[F-][B+3]([F-])([F-])[F-] | CAS Common Chemistry |
| InChI | InChI=1S/BF4.H2NO/c2-1(3,4)5;1-2/h;1H2/q-1;+1 | CAS Common Chemistry |
| InChI Key | InChIKey=CYLOZTYJBXHMJA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Nitrosonium tetrafluoroborate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 45.92 Ų | RDKit |
| LogP | 0.5906000000000001 | RDKit |
| Molar Refractivity | 15.059900000000003 | RDKit |
