| Sonrisas canónicas | C1=C(C=C(C(=C1C(=O)O)F)O)N |
|---|---|
| IUPAC Name | 5-amino-2-fluoro-3-hydroxybenzoic acid |
| InChIKey | MTWVJKPFMPPDPV-UHFFFAOYSA-N |
| INCHI | 1S/C7H6FNO3/c8-6-4(7(11)12)1-3(9)2-5(6)10/h1-2,10H,9H2,(H,11,12) |
| Peso molecular | 171.13 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroxybenzoic acid derivatives |
| Alternative Parents | Halobenzoic acids Aminobenzoic acids 2-halobenzoic acids Benzoic acids m-Aminophenols O-fluorophenols Benzoyl derivatives Aniline and substituted anilines 1-carboxy-2-haloaromatic compounds Fluorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Vinylogous halides Amino acids Monocarboxylic acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Hydroxybenzoic acid - Aminobenzoic acid or derivatives - Aminobenzoic acid - Benzoic acid - M-aminophenol - Aniline or substituted anilines - 1-carboxy-2-haloaromatic compound - 2-fluorophenol - 2-halophenol - Benzoyl - Aminophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Vinylogous halide - Amino acid - Amino acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups. |
| External Descriptors | Not available |
| Peso molecular | 171.130 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 171.033 Da |
| Monoisotopic Mass | 171.033 Da |
| Topological Polar Surface Area | 83.600 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 187.000 |
| 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 |
