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Nitrosyl Chloride
CAS: 2696-92-6 | ClNO
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
2696-92-6
Molecular Formula:
ClNO
Molecular Mass:
65.46 g/mol
Names and Synonyms:
Nitrosyl Chloride
Nitrosyl chloride ((NO)Cl)
Nitrosyl chloride
Nitrogen oxychloride
Nitrogen oxide chloride (NOCl)
Nitrogen oxychloride (NOCl)
Nitrosonium chloride
Nitrosochloride
Chlorine nitride oxide (ClNO)
Nitrogen chloride oxide (NClO)
Identifiers:
SMILES:
O=NCl
InChI:
InChI=1S/ClNO/c1-2-3
Key Properties
Boiling Point
-5.5 °C
CAS Common Chemistry
Melting Point
-64.5 °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 | 65.46 g/mol | CAS Common Chemistry |
| 65.459 g/mol | RDKit | |
| 64.9668413 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Nitrosyl_chloride | CAS Common Chemistry |
| Boiling Point | -5.5 °C | CAS Common Chemistry |
| Canonical SMILES | O=NCl | CAS Common Chemistry |
| InChI | InChI=1S/ClNO/c1-2-3 | CAS Common Chemistry |
| InChI Key | InChIKey=VPCDQGACGWYTMC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -64.5 °C | CAS Common Chemistry |
| Name | Nitrosyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.43 Ų | RDKit |
| LogP | 0.9066000000000001 | RDKit |
| Molar Refractivity | 11.648 | RDKit |
