| Sonrisas canónicas | C1=C(C=C(C(=C1C(=O)O)O)C(F)(F)F)Br |
|---|---|
| IUPAC Name | 5-bromo-2-hydroxy-3-(trifluoromethyl)benzoic acid |
| InChIKey | RXZMPNQNKZGQAY-UHFFFAOYSA-N |
| INCHI | 1S/C8H4BrF3O3/c9-3-1-4(7(14)15)6(13)5(2-3)8(10,11)12/h1-2,13H,(H,14,15) |
| Isómeros SMILES | C1=C(C=C(C(=C1C(=O)O)O)C(F)(F)F)Br |
| PubChem CID | 15445689 |
| Peso molecular | 285.02 |
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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Hydroxybenzoic acid derivatives - Salicylic acid and derivatives |
| Direct Parent | Salicylic acids |
| Alternative Parents | Trifluoromethylbenzenes 3-halobenzoic acids Halobenzoic acids Benzoic acids P-bromophenols Benzoyl derivatives Bromobenzenes Aryl bromides Vinylogous acids Carboxylic acids Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Alkyl fluorides Organooxygen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Salicylic acid - Benzoic acid - Benzoyl - 4-halophenol - 4-bromophenol - Bromobenzene - Halobenzene - Phenol - Aryl halide - Aryl bromide - Vinylogous acid - Carboxylic acid - Carboxylic acid derivative - Organofluoride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids. |
| External Descriptors | Not available |
| Peso molecular | 285.010 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 283.93 Da |
| Monoisotopic Mass | 283.93 Da |
| Topological Polar Surface Area | 57.500 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 256.000 |
| 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 |
