| Canonical Smiles | C1=C(C(=C(C(=C1F)F)F)O)C(=O)O |
|---|---|
| IUPAC Name | 3,4,5-trifluoro-2-hydroxybenzoic acid |
| InChIKey | OULDSJUFYGMOJG-UHFFFAOYSA-N |
| INCHI | 1S/C7H3F3O3/c8-3-1-2(7(12)13)6(11)5(10)4(3)9/h1,11H,(H,12,13) |
| Molecular Weight | 192.090 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Hydroxybenzoic acid derivatives - Salicylic acid and derivatives |
| Direct Parent | Salicylic acids |
| Alternative Parents | 3-halobenzoic acids 4-halobenzoic acids Halobenzoic acids Benzoic acids P-fluorophenols O-fluorophenols M-fluorophenols Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous acids Carboxylic acids Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Halobenzoic acid - 4-halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Salicylic acid - Benzoic acid - Benzoyl - 4-halophenol - 3-halophenol - 2-halophenol - 4-fluorophenol - 3-fluorophenol - 2-fluorophenol - Fluorobenzene - Halobenzene - Phenol - Aryl halide - Aryl fluoride - Vinylogous acid - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids. |
| External Descriptors | Not available |
| Molecular Weight | 192.090 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 192.003 Da |
| Monoisotopic Mass | 192.003 Da |
| Topological Polar Surface Area | 57.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 211.000 |
| 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 |
