≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(C)(C)OC(=O)NC1=C(OC2=C1C=C(C=C2)Br)C(=O)O |
|---|---|
| IUPAC Name | 5-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzofuran-2-carboxylic acid |
| InChIKey | JHXLHVUPGWZODE-UHFFFAOYSA-N |
| INCHI | 1S/C14H14BrNO5/c1-14(2,3)21-13(19)16-10-8-6-7(15)4-5-9(8)20-11(10)12(17)18/h4-6H,1-3H3,(H,16,19)(H,17,18) |
| Isomeric SMILES | CC(C)(C)OC(=O)NC1=C(OC2=C1C=C(C=C2)Br)C(=O)O |
| PubChem CID | 45588238 |
| Molecular Weight | 356.18 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzofurans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzofurans |
| Alternative Parents | Furoic acids Benzenoids Aryl bromides Vinylogous amides Heteroaromatic compounds Carbamate esters Oxacyclic compounds Carboxylic acids Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzofuran - Furoic acid or derivatives - Furoic acid - Aryl bromide - Aryl halide - Benzenoid - Furan - Heteroaromatic compound - Vinylogous amide - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. |
| External Descriptors | Not available |
| Molecular Weight | 356.170 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 355.006 Da |
| Monoisotopic Mass | 355.006 Da |
| Topological Polar Surface Area | 88.800 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 422.000 |
| 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 |
![5-Bromo-3-[(tert-butoxycarbonyl)amino]-1-benzofuran-2-carboxylic acid - ≥95% , CAS No.1160474-43-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)