≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sonrisas canónicas | CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)OC)Br |
|---|---|
| IUPAC Name | methyl 5-bromo-3-[ethyl(oxan-4-yl)amino]-2-methylbenzoate |
| InChIKey | SLSYENZIHLMJNW-UHFFFAOYSA-N |
| INCHI | 1S/C16H22BrNO3/c1-4-18(13-5-7-21-8-6-13)15-10-12(17)9-14(11(15)2)16(19)20-3/h9-10,13H,4-8H2,1-3H3 |
| Isómeros SMILES | CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)OC)Br |
| PubChem CID | 70872485 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | 3-halobenzoic acids and derivatives Aminobenzoic acids and derivatives Aminotoluenes Dialkylarylamines Aniline and substituted anilines Benzoyl derivatives Bromobenzenes Oxanes Aryl bromides Methyl esters Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Organobromides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-halobenzoic acid or derivatives - Aminobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Tertiary aliphatic/aromatic amine - Benzoyl - Dialkylarylamine - Aniline or substituted anilines - Aminotoluene - Toluene - Bromobenzene - Halobenzene - Aryl bromide - Oxane - Aryl halide - Methyl ester - Amino acid or derivatives - Tertiary amine - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| External Descriptors | Not available |
| Peso molecular | 356.250 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 355.078 Da |
| Monoisotopic Mass | 355.078 Da |
| Topological Polar Surface Area | 38.800 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 346.000 |
| 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 |
