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Chromyl Fluoride
CAS: 7788-96-7 | CrF2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7788-96-7
Molecular Formula:
CrF2O2
Molecular Mass:
121.99 g/mol
Names and Synonyms:
Chromyl Fluoride
Chromium, difluorodioxo-, (T-4)-
Chromium, difluorodioxo-
Chromyl fluoride
(T-4)-Difluorodioxochromium
Chromyl fluoride (CrO2F2)
Chromium fluoride oxide (CrO2F2)
Chromium oxyfluoride (CrO2F2)
Chromium difluoride dioxide
Difluorodioxochromium
Chromium oxyfluoride
Chromoxyfluoride
Chromium dioxide difluoride
Chromium oxide fluoride (CrO2F2)
Chromium fluoride oxide (CrF2O2)
Identifiers:
SMILES:
[Cr+2].[F-].[F-].[O].[O]
InChI:
InChI=1S/Cr.2FH.2O/h;2*1H;;/q+2;;;;/p-2
Key Properties
Melting Point
31.6 °C
CAS Common Chemistry
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 | 121.99 g/mol | CAS Common Chemistry |
| 121.92714318000002 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chromyl_fluoride | CAS Common Chemistry |
| Canonical SMILES | O=[Cr](=O)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/Cr.2FH.2O/h;2*1H;;/q+2;;;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=FRLBLFFATGQISB-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 31.6 °C | CAS Common Chemistry |
| Name | (T-4)-Difluorodioxochromium | CAS Common Chemistry |
| Chromyl fluoride | CAS Common Chemistry | |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.0 Ų | RDKit |
| LogP | -6.232100000000001 | RDKit |
| Molar Refractivity | 1.373 | RDKit |
