Back to Search
5-(3-Chlorophenyl)-2-Furancarboxaldehyde
CAS: 22078-59-7 | C11H7ClO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
22078-59-7
Molecular Formula:
C11H7ClO2
Molecular Mass:
206.63 g/mol
Names and Synonyms:
5-(3-Chlorophenyl)-2-Furancarboxaldehyde
2-Furancarboxaldehyde, 5-(3-chlorophenyl)-
2-Furaldehyde, 5-(m-chlorophenyl)-
5-(3-Chlorophenyl)-2-furancarboxaldehyde
5-(m-Chlorophenyl)-2-furaldehyde
5-(3-Chlorophenyl)-2-furaldehyde
Identifiers:
SMILES:
O=Cc1ccc(-c2cccc(Cl)c2)o1
InChI:
InChI=1S/C11H7ClO2/c12-9-3-1-2-8(6-9)11-5-4-10(7-13)14-11/h1-7H
Key Properties
Melting Point
97.5-98 °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 | 206.63 g/mol | CAS Common Chemistry |
| 206.628 g/mol | RDKit | |
| 206.013457144 g/mol | RDKit | |
| Canonical SMILES | O=CC=1OC(=CC1)C=2C=CC=C(Cl)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C11H7ClO2/c12-9-3-1-2-8(6-9)11-5-4-10(7-13)14-11/h1-7H | CAS Common Chemistry |
| InChI Key | InChIKey=FIGLPGGFAIZKFQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 97.5-98 °C | CAS Common Chemistry |
| Name | 5-(3-Chlorophenyl)-2-furancarboxaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 30.21 Ų | RDKit |
| LogP | 3.4125000000000014 | RDKit |
| Molar Refractivity | 54.54150000000001 | RDKit |
