| Sonrisas canónicas | C1=CC(=CC=C1C2=CC(=CS2)C(=O)O)Cl |
|---|---|
| IUPAC Name | 5-(4-chlorophenyl)thiophene-3-carboxylic acid |
| InChIKey | MFGBEAIHRUCLKX-UHFFFAOYSA-N |
| INCHI | 1S/C11H7ClO2S/c12-9-3-1-7(2-4-9)10-5-8(6-15-10)11(13)14/h1-6H,(H,13,14) |
| Peso molecular | 238.69 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Thiophenes |
| Subclass | Thiophene carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiophene carboxylic acids |
| Alternative Parents | Chlorobenzenes Aryl chlorides Heteroaromatic compounds Carboxylic acids Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Thiophene carboxylic acid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as thiophene carboxylic acids. These are compounds containing a thiophene ring which bears a carboxylic acid group. |
| External Descriptors | Not available |
| Peso molecular | 238.690 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 237.986 Da |
| Monoisotopic Mass | 237.986 Da |
| Topological Polar Surface Area | 65.500 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 239.000 |
| 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 |
