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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.
| Sonrisas canónicas | C1=CC(=CC=C1C2=CN=C(C(=N2)C(=O)O)C(=O)O)F |
|---|---|
| IUPAC Name | 5-(4-fluorophenyl)pyrazine-2,3-dicarboxylic acid |
| InChIKey | UMIMZZBEDSTQRB-UHFFFAOYSA-N |
| INCHI | 1S/C12H7FN2O4/c13-7-3-1-6(2-4-7)8-5-14-9(11(16)17)10(15-8)12(18)19/h1-5H,(H,16,17)(H,18,19) |
| Peso molecular | 262.19 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazines |
| Subclass | Pyrazines |
| Intermediate Tree Nodes | Pyrazine carboxylic acids and derivatives |
| Direct Parent | Pyrazine carboxylic acids |
| Alternative Parents | Fluorobenzenes Aryl fluorides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrazine carboxylic acid - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrazine carboxylic acids. These are heterocyclic compounds containing a pyrazine ring substituted by one or more carboxylic acid groups. |
| External Descriptors | Not available |
| Peso molecular | 262.190 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 262.039 Da |
| Monoisotopic Mass | 262.039 Da |
| Topological Polar Surface Area | 100.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 358.000 |
| 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 |