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Molecule
Azoxybenzene
CAS: 495-48-7 · C12H10N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 495-48-7
- Molecular Formula
- C12H10N2O
- Molecular Mass
- 198.22 g/mol
Identifiers
CAS Registry Number
495-48-7
SMILES
[O-][N+](=Nc1ccccc1)c1ccccc1
InChI Key
GAUZCKBSTZFWCT-UHFFFAOYSA-N
InChI
InChI=1S/C12H10N2O/c15-14(12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10H
Names and Synonyms
- Azoxybenzene Common Name
- Diazene, 1,2-diphenyl-, 1-oxide Synonym
- Azoxybenzene Synonym
- Diazene, diphenyl-, 1-oxide Synonym
- Azobenzene, oxide Synonym
- Azoxybenzide Synonym
- Fenazox Synonym
- Fentoxan Synonym
- NSC 1796 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 198.22 g/mol | CAS Common Chemistry |
| 198.225 g/mol | RDKit | |
| Density | 1.16 g/cm³ | CAS Common Chemistry |
| 1.1590 g/cm3 @ 26 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Azoxybenzene | CAS Common Chemistry |
| Canonical SMILES | O=N(=NC=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10N2O/c15-14(12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=GAUZCKBSTZFWCT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 36 °C | CAS Common Chemistry |
| Name | Azoxybenzene | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 38.43 Ų | RDKit |
| LogP | 3.612300000000002 | RDKit |
| 3.6123 | RDKit | |
| Molar Refractivity | 58.259400000000035 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 198.07931294 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 198.22 g/mol; density = 1.160 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H10N2O.
