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Molecule
Nitrosonium Tetrafluoroborate
CAS: 14635-75-7 · H2BF4NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14635-75-7
- Molecular Formula
- H2BF4NO
- Molecular Mass
- 118.83 g/mol
Identifiers
CAS Registry Number
14635-75-7
SMILES
F[B-](F)(F)F.N[O+]
InChI Key
CYLOZTYJBXHMJA-UHFFFAOYSA-N
InChI
InChI=1S/BF4.H2NO/c2-1(3,4)5;1-2/h;1H2/q-1;+1
Names and Synonyms
- Nitrosonium Tetrafluoroborate Common Name
- Borate(1-), tetrafluoro-, nitrosyl (1:1) Synonym
- Borate(1-), tetrafluoro-, nitrosyl Synonym
- Nitrosyl fluoborate Synonym
- Nitrosyl tetrafluoroborate Synonym
- Nitrosyl borofluoride Synonym
- Nitrosyl fluoroborate Synonym
- Nitrosyl tetrafluoroborate(1-) Synonym
- Nitrosyl tetrafluoroborate (NO[BF4]) Synonym
- Nitrosonium, tetrafluoroborate(1-) Synonym
- Nitrosonium tetrafluoroborate Synonym
- Nitroso tetrafluoroborate Synonym
- Nitrogen fluoroborate oxide (N(BF4)O) Synonym
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 | |
| 120.84 g/mol | chempirical lib | |
| 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 |
| 46.25 Ų | chempirical lib | |
| LogP | 0.5906000000000001 | RDKit |
| 0.5906 | RDKit | |
| Molar Refractivity | 15.059900000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 118.826 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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| 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.
External Resources
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MW = 118.83 g/mol. Edit any field — others recompute live.
