Back to Search
Molecule
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
Identifiers
CAS Registry Number
22078-59-7
SMILES
O=Cc1ccc(-c2cccc(Cl)c2)o1
InChI Key
FIGLPGGFAIZKFQ-UHFFFAOYSA-N
InChI
InChI=1S/C11H7ClO2/c12-9-3-1-2-8(6-9)11-5-4-10(7-13)14-11/h1-7H
Names and Synonyms
- 5-(3-Chlorophenyl)-2-Furancarboxaldehyde Systematic Name
- 2-Furancarboxaldehyde, 5-(3-chlorophenyl)- Synonym
- 2-Furaldehyde, 5-(m-chlorophenyl)- Synonym
- 5-(3-Chlorophenyl)-2-furancarboxaldehyde Synonym
- 5-(m-Chlorophenyl)-2-furaldehyde Synonym
- 5-(3-Chlorophenyl)-2-furaldehyde Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 206.63 g/mol | CAS Common Chemistry |
| 206.628 g/mol | RDKit | |
| 206.625 g/mol | chempirical lib | |
| 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 |
| 3.4125 | RDKit | |
| Molar Refractivity | 54.54150000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 206.013457144 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 206.63 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H7ClO2.
