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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=CC2=C(C=C(C=C2)F)N=C1Cl |
|---|---|
| IUPAC Name | 2-chloro-7-fluoro-3-methylquinoline |
| InChIKey | MCJRQLTWWCMBJE-UHFFFAOYSA-N |
| INCHI | 1S/C10H7ClFN/c1-6-4-7-2-3-8(12)5-9(7)13-10(6)11/h2-5H,1H3 |
| Isomeric SMILES | CC1=CC2=C(C=C(C=C2)F)N=C1Cl |
| Molecular Weight | 195.62 |
| Reaxy-Rn | 27733833 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27733833&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Haloquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chloroquinolines |
| Alternative Parents | Methylpyridines 2-halopyridines Benzenoids Aryl fluorides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chloroquinoline - 2-halopyridine - Methylpyridine - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms. |
| External Descriptors | Not available |
| Molecular Weight | 195.620 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 195.025 Da |
| Monoisotopic Mass | 195.025 Da |
| Topological Polar Surface Area | 12.900 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 188.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |