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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC(=CC=C1C2=C(C=C(S2)CC(=O)N)Br)N |
|---|---|
| IUPAC Name | 2-[5-(4-aminophenyl)-4-bromothiophen-2-yl]acetamide |
| InChIKey | HRPRHTXGMDBWAI-UHFFFAOYSA-N |
| INCHI | 1S/C12H11BrN2OS/c13-10-5-9(6-11(15)16)17-12(10)7-1-3-8(14)4-2-7/h1-5H,6,14H2,(H2,15,16) |
| Molecular Weight | 311.2 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thiophenes |
| Subclass | 2,3,5-trisubstituted thiophenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2,3,5-trisubstituted thiophenes |
| Alternative Parents | Aniline and substituted anilines Aryl bromides Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Primary amines Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,3,5-trisubstituted thiophene - Aniline or substituted anilines - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Primary amine - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2,3,5-trisubstituted thiophenes. These are organic compounds containing a thiophene that is trisubstituted at the C-2, C3- and C5-positions. |
| External Descriptors | Not available |
| Molecular Weight | 311.200 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 309.978 Da |
| Monoisotopic Mass | 309.978 Da |
| Topological Polar Surface Area | 97.400 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 282.000 |
| 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 |