| Pubchem Sid | 488196797 |
|---|---|
| Canonical Smiles | CCOC(=O)C(=O)C1=CC=C(C=C1)Br |
| IUPAC Name | ethyl 2-(4-bromophenyl)-2-oxoacetate |
| InChIKey | SFOMTBBEDGCTHQ-UHFFFAOYSA-N |
| INCHI | 1S/C10H9BrO3/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3 |
| Isomeric SMILES | CCOC(=O)C(=O)C1=CC=C(C=C1)Br |
| Molecular Weight | 257.08 |
| Reaxy-Rn | 2692072 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2692072&ln= |
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 | Benzoyl derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoyl derivatives |
| Alternative Parents | Aryl ketones Bromobenzenes Aryl bromides Alpha-keto acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoyl - Aryl ketone - Bromobenzene - Halobenzene - Alpha-keto acid - Aryl bromide - Aryl halide - Keto acid - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). |
| 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 | Item |
|---|---|---|---|
 D2312048 | Certificate of Analysis | Jan 20, 2026 | E357936 |
| D2312022 | Certificate of Analysis | Jan 20, 2026 | E357936 |
| L22071000 | Certificate of Analysis | Sep 19, 2025 | E357936 |
| L2207984 | Certificate of Analysis | Sep 19, 2025 | E357936 |
| L2207848 | Certificate of Analysis | Sep 19, 2025 | E357936 |
| L22071001 | Certificate of Analysis | Sep 16, 2025 | E357936 |
| Molecular Weight | 257.079 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 255.974 Da |
| Monoisotopic Mass | 255.974 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 219.000 |
| 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 |
