| Canonical Smiles | COC1=C(SC(=C1)C(=O)O)Br |
|---|---|
| IUPAC Name | 5-bromo-4-methoxythiophene-2-carboxylic acid |
| InChIKey | SSZYFNWEXXZETP-UHFFFAOYSA-N |
| INCHI | 1S/C6H5BrO3S/c1-10-3-2-4(6(8)9)11-5(3)7/h2H,1H3,(H,8,9) |
| Molecular Weight | 237.07 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thiophenes |
| Subclass | Thiophene carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiophene carboxylic acids |
| Alternative Parents | 2,3,5-trisubstituted thiophenes Alkyl aryl ethers Aryl bromides Heteroaromatic compounds Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,3,5-trisubstituted thiophene - Thiophene carboxylic acid - Alkyl aryl ether - Aryl bromide - Aryl halide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | 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 |
| Molecular Weight | 237.070 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 235.914 Da |
| Monoisotopic Mass | 235.914 Da |
| Topological Polar Surface Area | 74.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 164.000 |
| 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 |
