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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 | C1=CSC(=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)Cl |
|---|---|
| IUPAC Name | 6-chloro-2-thiophen-2-ylquinoline-4-carbonyl chloride |
| InChIKey | NLYIGYOCUWDUDQ-UHFFFAOYSA-N |
| INCHI | 1S/C14H7Cl2NOS/c15-8-3-4-11-9(6-8)10(14(16)18)7-12(17-11)13-2-1-5-19-13/h1-7H |
| Isomeric SMILES | C1=CSC(=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)Cl |
| Alternate CAS | 1160263-06-8 |
| PubChem CID | 46779396 |
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 | Pyridinecarboxylic acids and derivatives Benzenoids Aryl chlorides Thiophenes Heteroaromatic compounds Azacyclic compounds Acyl chlorides Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chloroquinoline - Pyridine carboxylic acid or derivatives - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Thiophene - Heteroaromatic compound - Acyl chloride - Acyl halide - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen 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 | 308.200 g/mol |
|---|---|
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 306.963 Da |
| Monoisotopic Mass | 306.963 Da |
| Topological Polar Surface Area | 58.200 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 354.000 |
| 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 |