≥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 | C1CC2=C(C=CC(=C2OC1)C(=O)O)Br |
|---|---|
| IUPAC Name | 5-bromo-3,4-dihydro-2H-chromene-8-carboxylic acid |
| InChIKey | ZZVRSHCOXWQTMD-UHFFFAOYSA-N |
| INCHI | 1S/C10H9BrO3/c11-8-4-3-7(10(12)13)9-6(8)2-1-5-14-9/h3-4H,1-2,5H2,(H,12,13) |
| Isomeric SMILES | C1CC2=C(C=CC(=C2OC1)C(=O)O)Br |
| PubChem CID | 13983521 |
| Molecular Weight | 257.08 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1-benzopyrans |
| Alternative Parents | Halobenzoic acids 4-halobenzoic acids Alkyl aryl ethers Aryl bromides Oxacyclic compounds Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid - Halobenzoic acid - 1-benzopyran - Alkyl aryl ether - Aryl bromide - Aryl halide - Benzenoid - Ether - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organic oxide - Organooxygen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position. |
| External Descriptors | Not available |
| Molecular Weight | 257.079 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 255.974 Da |
| Monoisotopic Mass | 255.974 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 231.000 |
| 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 |
