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Nitrogen Dioxide
CAS: 10102-44-0 | NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10102-44-0
Molecular Formula:
NO2
Molecular Mass:
46.01 g/mol
Names and Synonyms:
Nitrogen Dioxide
Nitrogen oxide (NO2)
Nitrogen dioxide
Nitrito
Nitro
Nitrogen dioxide (NO2)
Nitrogen peroxide
Nitrite radical
Identifiers:
SMILES:
[O]N=O
InChI:
InChI=1S/NO2/c2-1-3
Key Properties
Boiling Point
21.15 °C
CAS Common Chemistry
Melting Point
-9.3 °C
CAS Common Chemistry
Density
1.45 g/cm³
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 | 46.01 g/mol | CAS Common Chemistry |
| 46.005 g/mol | RDKit | |
| 45.992903240000004 g/mol | RDKit | |
| Density | 1.45 g/cm³ | CAS Common Chemistry |
| 1.45 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Nitrogen_dioxide | CAS Common Chemistry |
| Boiling Point | 21.15 °C | CAS Common Chemistry |
| Canonical SMILES | [O]N=O | CAS Common Chemistry |
| InChI | InChI=1S/NO2/c2-1-3 | CAS Common Chemistry |
| InChI Key | InChIKey=JCXJVPUVTGWSNB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -9.3 °C | CAS Common Chemistry |
| Name | Nitrogen dioxide | 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 | 49.33 Ų | RDKit |
| LogP | 0.09830000000000001 | RDKit |
| Molar Refractivity | 6.4815000000000005 | RDKit |
