Back to Search
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
Names and Synonyms:
4-[2-(4-Nitrophenyl)Diazenyl]-1-Naphthalenol
1-Naphthalenol, 4-[2-(4-nitrophenyl)diazenyl]-
1-Naphthol, 4-[(p-nitrophenyl)azo]-
1-Naphthalenol, 4-[(4-nitrophenyl)azo]-
4-[2-(4-Nitrophenyl)diazenyl]-1-naphthalenol
Magneson II
4-[(p-Nitrophenyl)azo]-1-naphthol
4-[(4-Nitrophenyl)azo]-1-naphthol
p-(4-Hydroxy-1-naphthylazo)nitrobenzene
1-(4-Nitrophenylazo)-4-naphthol
NSC 5048
Identifiers:
SMILES:
O=[N+]([O-])c1ccc(N=Nc2ccc(O)c3ccccc23)cc1
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
Key Properties
Melting Point
275-278 °C
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 | 293.28 g/mol | CAS Common Chemistry |
| 293.28200000000004 g/mol | RDKit | |
| 293.080041212 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 |
| LogP | 4.869000000000003 | RDKit |
| Molar Refractivity | 82.88520000000003 | RDKit |
