≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
p38a Mitogen-Activated Protein Kinase Inhibitors; histamine-3 (H3) receptor ligands.
| ALogP | 2.145 |
|---|---|
| Nombre de HBD | 1 |
| Liaison rotative | 3 |
| Pubchem Sid | 528767866 |
|---|---|
| Sourires canoniques | C1CC(OC1)CNC(=O)C2=CC=C(C=C2)Br |
| IUPAC Name | 4-bromo-N-(oxolan-2-ylmethyl)benzamide |
| InChIKey | NEEWRHZFBXHGKM-UHFFFAOYSA-N |
| INCHI | 1S/C12H14BrNO2/c13-10-5-3-9(4-6-10)12(15)14-8-11-2-1-7-16-11/h3-6,11H,1-2,7-8H2,(H,14,15) |
| Isomères SMILES | C1CC(OC1)CNC(=O)C2=CC=C(C=C2)Br |
| PubChem CID | 532149 |
| Poids moléculaire | 284.14906 |
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 |
| Classe | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Halobenzoic acids and derivatives |
| Direct Parent | 4-halobenzoic acids and derivatives |
| Alternative Parents | Benzamides Benzoyl derivatives Bromobenzenes Aryl bromides Tetrahydrofurans Secondary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Tetrahydrofuran - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Article |
|---|---|---|---|
 C2308210 | Certificate of Analysis | Oct 31, 2022 | W418060 |
| C2308221 | Certificate of Analysis | Oct 31, 2022 | W418060 |
| C2308228 | Certificate of Analysis | Oct 31, 2022 | W418060 |
| C2308235 | Certificate of Analysis | Oct 31, 2022 | W418060 |
| C2308238 | Certificate of Analysis | Oct 31, 2022 | W418060 |
| C2308246 | Certificate of Analysis | Oct 31, 2022 | W418060 |
| DMSO (mM) Solubilité maximale | 10 |
|---|---|
| Poids moléculaire | 284.150 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 283.021 Da |
| Monoisotopic Mass | 283.021 Da |
| Topological Polar Surface Area | 38.300 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 239.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
