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Nitrosyl Chloride
CAS: 2696-92-6 | ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2696-92-6
Molecular Formula:
ClNO
Molecular Weight:
65.459 g/mol
Names and Synonyms:
Nitrosyl Chloride
Nitrogen chloride oxide (NClO)
Chlorine nitride oxide (ClNO)
Nitrosochloride
Nitrosonium chloride
Nitrogen oxychloride (NOCl)
Nitrogen oxide chloride (NOCl)
Nitrogen oxychloride
Nitrosyl chloride
Nitrosyl chloride ((NO)Cl)
Identifiers:
SMILES:
O=NCl
InChI:
InChI=1S/ClNO/c1-2-3
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 | 65.46 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Nitrosyl_chloride None | Legacy Database |
| cas-boiling-point | -5.5 °C None | Legacy Database |
| cas-canonical-smile | O=NCl None | Legacy Database |
| cas-inchi | InChI=1S/ClNO/c1-2-3 None | Legacy Database |
| cas-inchi-key | InChIKey=VPCDQGACGWYTMC-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -64.5 °C None | Legacy Database |
| cas-name | Nitrosyl chloride None | Legacy Database |
| wikipedia-name | Nitrosyl chloride None | Legacy Database |
| LogP | 0.9066000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 65.459 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 64.9668413 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 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 | 29.43 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 11.648 | RDKit |
