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Molecule
5-Chlorosalicylaldehyde
CAS: 635-93-8 · C7H5ClO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 635-93-8
- Molecular Formula
- C7H5ClO2
- Molecular Mass
- 156.57 g/mol
Identifiers
CAS Registry Number
635-93-8
SMILES
O=Cc1cc(Cl)ccc1O
InChI Key
FUGKCSRLAQKUHG-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H
Names and Synonyms
- 5-Chlorosalicylaldehyde Systematic Name
- Benzaldehyde, 5-chloro-2-hydroxy- Synonym
- Salicylaldehyde, 5-chloro- Synonym
- 5-Chloro-2-hydroxybenzaldehyde Synonym
- 5-Chlorosalicylaldehyde Synonym
- 2-Hydroxy-5-chlorobenzaldehyde Synonym
- 4-Chloro-2-formylphenol Synonym
- 5-Chloro-o-salicylaldehyde Synonym
- 3-Chloro-6-hydroxybenzaldehyde Synonym
- NSC 3811 Synonym
- 5-Chlorosalicyaldehyde Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 156.57 g/mol | CAS Common Chemistry |
| 156.56799999999998 g/mol | RDKit | |
| 156.568 g/mol | RDKit | |
| 156.565 g/mol | chempirical lib | |
| Canonical SMILES | O=CC1=CC(Cl)=CC=C1O | CAS Common Chemistry |
| InChI | InChI=1S/C7H5ClO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H | CAS Common Chemistry |
| InChI Key | InChIKey=FUGKCSRLAQKUHG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 100.3 °C | CAS Common Chemistry |
| Name | 5-Chlorosalicylaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 1.8580999999999999 | RDKit |
| 1.8581 | RDKit | |
| Molar Refractivity | 38.504300000000015 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 155.99780708 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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
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MW = 156.57 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H5ClO2.
