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Molecule
2-Chloro-3-Formyl-6-Methylquinoline
CAS: 73568-27-1 · C11H8ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 73568-27-1
- Molecular Formula
- C11H8ClNO
- Molecular Mass
- 205.64 g/mol
Identifiers
CAS Registry Number
73568-27-1
SMILES
Cc1ccc2nc(Cl)c(C=O)cc2c1
InChI Key
FSLNYYZJXMGKHK-UHFFFAOYSA-N
InChI
InChI=1S/C11H8ClNO/c1-7-2-3-10-8(4-7)5-9(6-14)11(12)13-10/h2-6H,1H3
Names and Synonyms
- 2-Chloro-3-Formyl-6-Methylquinoline Synonym
- 3-Quinolinecarboxaldehyde, 2-chloro-6-methyl- Synonym
- 2-Chloro-6-methyl-3-quinolinecarboxaldehyde Synonym
- 2-Chloro-3-formyl-6-methylquinoline Synonym
- 2-Chloro-6-methylquinoline-3-carbaldehyde Synonym
- 2-Chloro-6-methyl-3-quinolinecarbaldehyde Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 205.64 g/mol | CAS Common Chemistry |
| 205.64400000000003 g/mol | RDKit | |
| 205.644 g/mol | RDKit | |
| 205.641 g/mol | chempirical lib | |
| Canonical SMILES | O=CC=1C=C2C=C(C=CC2=NC1Cl)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H8ClNO/c1-7-2-3-10-8(4-7)5-9(6-14)11(12)13-10/h2-6H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FSLNYYZJXMGKHK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 123 °C @ Solvent: Ethyl acetate | CAS Common Chemistry |
| Name | 2-Chloro-3-formyl-6-methylquinoline | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 29.96 Ų | RDKit |
| 29.43 Ų | chempirical lib | |
| LogP | 3.009120000000001 | RDKit |
| 3.0091 | RDKit | |
| Molar Refractivity | 56.87750000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0909 | RDKit |
| 0.09 | chempirical lib | |
| Exact Mass | 205.029441556 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 205.64 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H8ClNO.
