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Molecule
Nitronium Tetrafluoroborate
CAS: 13826-86-3 · H2BF4NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13826-86-3
- Molecular Formula
- H2BF4NO2
- Molecular Mass
- 134.83 g/mol
Identifiers
CAS Registry Number
13826-86-3
SMILES
F[B-](F)(F)F.ON=[OH+]
InChI Key
MSXLXAUEYQPTTG-UHFFFAOYSA-O
InChI
InChI=1S/BF4.HNO2/c2-1(3,4)5;2-1-3/h;(H,2,3)/q-1;/p+1
Names and Synonyms
- Nitronium Tetrafluoroborate Synonym
- Borate(1-), tetrafluoro-, nitryl (1:1) Synonym
- Borate(1-), tetrafluoro-, nitryl Synonym
- Nitryl tetrafluoroborate Synonym
- Nitryl fluoborate Synonym
- Nitryl tetrafluoroborate (NO2BF4) Synonym
- Nitryl tetrafluoroborate(1-) Synonym
- Nitronium tetrafluoroborate Synonym
- Nitronium tetrafluoroborate(1-) Synonym
- Nitronium fluoroborate (NO2BF4) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 134.83 g/mol | CAS Common Chemistry |
| 134.82500000000002 g/mol | RDKit | |
| 135.011471584 g/mol | RDKit | |
| 134.825 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Nitronium_tetrafluoroborate | CAS Common Chemistry |
| Canonical SMILES | O=N[O+].[F-][B+3]([F-])([F-])[F-] | CAS Common Chemistry |
| InChI | InChI=1S/BF4.HNO2/c2-1(3,4)5;2-1-3/h;(H,2,3)/q-1;/p+1 | CAS Common Chemistry |
| InChI Key | InChIKey=MSXLXAUEYQPTTG-UHFFFAOYSA-O | CAS Common Chemistry |
| Name | Nitronium tetrafluoroborate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 53.99 Ų | RDKit |
| LogP | 1.2317 | RDKit |
| Molar Refractivity | 16.3363 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 134.823 g/mol | chempirical lib |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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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 = 134.83 g/mol. Edit any field — others recompute live.
