Back to Search
5-(4-Nitrophenyl)-2-Furancarboxaldehyde
CAS: 7147-77-5 | C11H7NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7147-77-5
Molecular Formula:
C11H7NO4
Molecular Mass:
217.18 g/mol
Names and Synonyms:
5-(4-Nitrophenyl)-2-Furancarboxaldehyde
2-Furancarboxaldehyde, 5-(4-nitrophenyl)-
2-Furaldehyde, 5-(p-nitrophenyl)-
5-(4-Nitrophenyl)-2-furancarboxaldehyde
5-(p-Nitrophenyl)-2-furaldehyde
5-(4-Nitrophenyl)-2-furaldehyde
5-(4-Nitrophenyl)furfural
5-(4-Nitrophenyl)furfuraldehyde
5-(p-Nitrophenyl)-2-furancarboxaldehyde
5-(p-Nitrophenyl)furfural
NSC 31431
Identifiers:
SMILES:
O=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChI:
InChI=1S/C11H7NO4/c13-7-10-5-6-11(16-10)8-1-3-9(4-2-8)12(14)15/h1-7H
Key Properties
Melting Point
205-208 °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 | 217.18 g/mol | CAS Common Chemistry |
| 217.17999999999998 g/mol | RDKit | |
| 217.037507704 g/mol | RDKit | |
| Canonical SMILES | O=CC=1OC(=CC1)C=2C=CC(=CC2)N(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/C11H7NO4/c13-7-10-5-6-11(16-10)8-1-3-9(4-2-8)12(14)15/h1-7H | CAS Common Chemistry |
| InChI Key | InChIKey=RTSOJVJDKNKNFU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 205-208 °C | CAS Common Chemistry |
| Name | 5-(4-Nitrophenyl)-2-furancarboxaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 73.35 Ų | RDKit |
| LogP | 2.667300000000001 | RDKit |
| Molar Refractivity | 56.18590000000001 | RDKit |
