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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
Common Name
Nitrogen chloride oxide (NClO)
Synonym
Chlorine nitride oxide (ClNO)
Synonym
Nitrosochloride
Synonym
Nitrosonium chloride
Synonym
Nitrogen oxychloride (NOCl)
Synonym
Nitrogen oxide chloride (NOCl)
Synonym
Nitrogen oxychloride
Synonym
Nitrosyl chloride
Synonym
Nitrosyl chloride ((NO)Cl)
Synonym
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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.9066000000000001 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 11.648 | RDKit |