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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C(#N)C1=C(C(=C(C(=C1F)F)C2=C(C(=C(C(=C2F)F)C#N)F)F)F)F |
|---|---|
| IUPAC Name | 4-(4-cyano-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzonitrile |
| InChIKey | HNVWQUWFHAHEHY-UHFFFAOYSA-N |
| INCHI | 1S/C14F8N2/c15-7-3(1-23)8(16)12(20)5(11(7)19)6-13(21)9(17)4(2-24)10(18)14(6)22 |
| Isómeros SMILES | C(#N)C1=C(C(=C(C(=C1F)F)C2=C(C(=C(C(=C2F)F)C#N)F)F)F)F |
| CAS alternativo | 28442-30-0 |
| PubChem CID | 631555 |
| Peso molecular | 348.15 |
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 | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biphenylcarbonitriles |
| Alternative Parents | Benzonitriles Fluorobenzenes Aryl fluorides Nitriles Organopnictogen compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Biphenylcarbonitrile - Benzonitrile - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl group. |
| External Descriptors | Not available |
| Peso molecular | 348.150 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 1 |
| Exact Mass | 347.993 Da |
| Monoisotopic Mass | 347.993 Da |
| Topological Polar Surface Area | 47.600 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 488.000 |
| 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 |