| Sonrisas canónicas | CC(C1=CC(=C(C=C1)Cl)F)N |
|---|---|
| IUPAC Name | 1-(4-chloro-3-fluorophenyl)ethanamine |
| InChIKey | SRVZZCBLNXFARS-UHFFFAOYSA-N |
| INCHI | 1S/C8H9ClFN/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5H,11H2,1H3 |
| Isómeros SMILES | CC(C1=CC(=C(C=C1)Cl)F)N |
| CAS alternativo | 787633-87-8 |
| PubChem CID | 21934771 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 Aralkylamines Aryl fluorides Aryl chlorides Organofluorides Organochlorides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aralkylamine - Chlorobenzene - Fluorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Amine - Organochloride - Organohalogen compound - Primary aliphatic amine - Organofluoride - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic homomonocyclic 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 | 173.610 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 173.041 Da |
| Monoisotopic Mass | 173.041 Da |
| Topological Polar Surface Area | 26.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 131.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
