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Molecule
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
Identifiers
CAS Registry Number
2696-92-6
SMILES
O=NCl
InChI Key
VPCDQGACGWYTMC-UHFFFAOYSA-N
InChI
InChI=1S/ClNO/c1-2-3
Names and Synonyms
- Nitrosyl Chloride Common Name
- Nitrosyl chloride ((NO)Cl) Synonym
- Nitrosyl chloride Synonym
- Nitrogen oxychloride Synonym
- Nitrogen oxide chloride (NOCl) Synonym
- Nitrogen oxychloride (NOCl) Synonym
- Nitrosonium chloride Synonym
- Nitrosochloride Synonym
- Chlorine nitride oxide (ClNO) Synonym
- Nitrogen chloride oxide (NClO) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 65.46 g/mol | CAS Common Chemistry |
| 65.459 g/mol | RDKit | |
| 65.456 g/mol | chempirical lib | |
| 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 |
| 0.9066 | RDKit | |
| Molar Refractivity | 11.648 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 64.9668413 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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.
External Resources
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MW = 65.46 g/mol. Edit any field — others recompute live.
