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Molecule
4-[2-(4-Nitrophenyl)Diazenyl]-1-Naphthalenol
CAS: 5290-62-0 · C16H11N3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 5290-62-0
- Molecular Formula
- C16H11N3O3
- Molecular Mass
- 293.28 g/mol
Identifiers
CAS Registry Number
5290-62-0
SMILES
O=[N+]([O-])c1ccc(N=Nc2ccc(O)c3ccccc23)cc1
InChI Key
MDLLSWJQIIAUQU-UHFFFAOYSA-N
InChI
InChI=1S/C16H11N3O3/c20-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)19(21)22/h1-10,20H
Names and Synonyms
- 4-[2-(4-Nitrophenyl)Diazenyl]-1-Naphthalenol Synonym
- 1-Naphthalenol, 4-[2-(4-nitrophenyl)diazenyl]- Synonym
- 1-Naphthol, 4-[(p-nitrophenyl)azo]- Synonym
- 1-Naphthalenol, 4-[(4-nitrophenyl)azo]- Synonym
- 4-[2-(4-Nitrophenyl)diazenyl]-1-naphthalenol Synonym
- Magneson II Synonym
- 4-[(p-Nitrophenyl)azo]-1-naphthol Synonym
- 4-[(4-Nitrophenyl)azo]-1-naphthol Synonym
- p-(4-Hydroxy-1-naphthylazo)nitrobenzene Synonym
- 1-(4-Nitrophenylazo)-4-naphthol Synonym
- NSC 5048 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 293.28 g/mol | CAS Common Chemistry |
| 293.28200000000004 g/mol | RDKit | |
| 293.282 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC=C(N=NC2=CC=C(O)C=3C=CC=CC23)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C16H11N3O3/c20-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)19(21)22/h1-10,20H | CAS Common Chemistry |
| InChI Key | InChIKey=MDLLSWJQIIAUQU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 275-278 °C | CAS Common Chemistry |
| Name | 4-[2-(4-Nitrophenyl)diazenyl]-1-naphthalenol | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 88.09 Ų | RDKit |
| 83.25 Ų | chempirical lib | |
| LogP | 4.869000000000003 | RDKit |
| 4.869 | RDKit | |
| Molar Refractivity | 82.88520000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 293.080041212 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
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MW = 293.28 g/mol. Edit any field — others recompute live.
