≥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(=C2N)Br)C(=O)O)OC1 |
|---|---|
| IUPAC Name | 5-amino-6-bromo-3,4-dihydro-2H-chromene-8-carboxylic acid |
| InChIKey | INYKESVAFKSNMJ-UHFFFAOYSA-N |
| INCHI | 1S/C10H10BrNO3/c11-7-4-6(10(13)14)9-5(8(7)12)2-1-3-15-9/h4H,1-3,12H2,(H,13,14) |
| Isomeric SMILES | C1CC2=C(C(=CC(=C2N)Br)C(=O)O)OC1 |
| PubChem CID | 53402946 |
| Molecular Weight | 272.09 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Aminobenzoic acids and derivatives |
| Direct Parent | Aminobenzoic acids |
| Alternative Parents | Halobenzoic acids 3-halobenzoic acids 1-benzopyrans 2-bromoanilines Alkyl aryl ethers Aryl bromides Amino acids Oxacyclic compounds Carboxylic acids Primary amines Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aminobenzoic acid - Chromane - Benzopyran - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - 1-benzopyran - 2-bromoaniline - Alkyl aryl ether - Aryl bromide - Aryl halide - Amino acid or derivatives - Amino acid - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organic nitrogen compound - Amine - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety. |
| External Descriptors | Not available |
| Molecular Weight | 272.090 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 270.984 Da |
| Monoisotopic Mass | 270.984 Da |
| Topological Polar Surface Area | 72.600 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 261.000 |
| 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 |
