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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=CC(=C(C(=C1N)O)F)F.Cl |
|---|---|
| IUPAC Name | 6-amino-2,3-difluorophenol;hydrochloride |
| InChIKey | CAEBUUDJUXQARC-UHFFFAOYSA-N |
| INCHI | 1S/C6H5F2NO.ClH/c7-3-1-2-4(9)6(10)5(3)8;/h1-2,10H,9H2;1H |
| Isomeric SMILES | C1=CC(=C(C(=C1N)O)F)F.Cl |
| PubChem CID | 56776538 |
| Molecular Weight | 181.6 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenols |
| Subclass | Halophenols |
| Intermediate Tree Nodes | Fluorophenols |
| Direct Parent | O-fluorophenols |
| Alternative Parents | o-Aminophenols M-fluorophenols Aniline and substituted anilines Fluorobenzenes 1-hydroxy-4-unsubstituted benzenoids Aryl fluorides Primary amines Organooxygen compounds Organofluorides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminophenol - O-aminophenol - Aniline or substituted anilines - 3-fluorophenol - 2-fluorophenol - 1-hydroxy-4-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Organohalogen compound - Primary amine - Hydrochloride - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as o-fluorophenols. These are fluorophenols carrying a iodine at the C2 position of the benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 181.570 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 181.011 Da |
| Monoisotopic Mass | 181.011 Da |
| Topological Polar Surface Area | 46.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 122.000 |
| 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 | 2 |