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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1=CC(=C(C=C1C2=NN=C(S2)N)Cl)F |
|---|---|
| IUPAC Name | 5-(3-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-amine |
| InChIKey | OLJGSHPMCJDEDS-UHFFFAOYSA-N |
| INCHI | 1S/C8H5ClFN3S/c9-5-3-4(1-2-6(5)10)7-12-13-8(11)14-7/h1-3H,(H2,11,13) |
| Peso molecular | 229.66 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fluorobenzenes |
| Alternative Parents | Chlorobenzenes 2-amino-5-substituted-1,3,4-thiadiazoles Aryl fluorides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-amino-5-substituted-1,3,4-thiadiazole - Chlorobenzene - Fluorobenzene - 2-amino-1,3,4-thiadiazole - Aryl chloride - Aryl fluoride - Aryl halide - Heteroaromatic compound - Thiadiazole - Azole - Azacycle - Organoheterocyclic compound - Organofluoride - Organonitrogen compound - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 229.660 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 228.988 Da |
| Monoisotopic Mass | 228.988 Da |
| Topological Polar Surface Area | 80.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 209.000 |
| 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 |