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Molecule
2,2′-Dihydroxyazobenzene
CAS: 2050-14-8 · C12H10N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2050-14-8
- Molecular Formula
- C12H10N2O2
- Molecular Mass
- 214.22 g/mol
Identifiers
CAS Registry Number
2050-14-8
SMILES
Oc1ccccc1N=Nc1ccccc1O
InChI Key
JFEVWPNAOCPRHQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H10N2O2/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16/h1-8,15-16H
Names and Synonyms
- 2,2′-Dihydroxyazobenzene Synonym
- Phenol, 2,2′-(1,2-diazenediyl)bis- Synonym
- Phenol, 2,2′-azodi- Synonym
- Phenol, 2,2′-azobis- Synonym
- Phenol, o,o′-azodi- Synonym
- Phenol, o,o′-azobis- Synonym
- 2,2′-(1,2-Diazenediyl)bis[phenol] Synonym
- o-Azophenol Synonym
- o,o′-Dihydroxyazobenzene Synonym
- 2,2′-Dihydroxyazobenzene Synonym
- 2,2′-Azodiphenol Synonym
- 2,2′-Azophenol Synonym
- Azobenzene-2,2′-diol Synonym
- Azobis(2-hydroxyphenyl) Synonym
- 2,2′-Diazenediyldiphenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.22 g/mol | CAS Common Chemistry |
| 214.22400000000002 g/mol | RDKit | |
| 214.224 g/mol | RDKit | |
| Canonical SMILES | OC=1C=CC=CC1N=NC=2C=CC=CC2O | CAS Common Chemistry |
| InChI | InChI=1S/C12H10N2O2/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16/h1-8,15-16H | CAS Common Chemistry |
| InChI Key | InChIKey=JFEVWPNAOCPRHQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 173 °C | CAS Common Chemistry |
| Name | 2,2′-Dihydroxyazobenzene | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 65.18 Ų | RDKit |
| LogP | 3.5132000000000017 | RDKit |
| 3.5132 | RDKit | |
| Molar Refractivity | 60.38960000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 214.07422756 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 214.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H10N2O2.
