| Pubchem Sid | 488194418 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488194418 |
| Canonical Smiles | C1=CC(=C(C=C1F)Br)CC(=O)O |
| IUPAC Name | 2-(2-bromo-4-fluorophenyl)acetic acid |
| InChIKey | MJSGXOXCPKTZTK-UHFFFAOYSA-N |
| INCHI | 1S/C8H6BrFO2/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4H,3H2,(H,11,12) |
| Isomeric SMILES | C1=CC(=C(C=C1F)Br)CC(=O)O |
| Molecular Weight | 233 |
| Reaxy-Rn | 2093118 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2093118&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 | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fluorobenzenes |
| Alternative Parents | Bromobenzenes Aryl fluorides Aryl bromides Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Bromobenzene - Fluorobenzene - Aryl bromide - Aryl halide - Aryl fluoride - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a 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 | Item |
|---|---|---|---|
 H2316291 | Certificate of Analysis | May 20, 2026 | B185556 |
| H2316292 | Certificate of Analysis | May 20, 2026 | B185556 |
| H2316293 | Certificate of Analysis | May 20, 2026 | B185556 |
| H2316294 | Certificate of Analysis | May 20, 2026 | B185556 |
| H2316295 | Certificate of Analysis | May 20, 2026 | B185556 |
| H2316296 | Certificate of Analysis | May 20, 2026 | B185556 |
| H2316297 | Certificate of Analysis | May 20, 2026 | B185556 |
| H2316298 | Certificate of Analysis | May 20, 2026 | B185556 |
| H2316299 | Certificate of Analysis | May 20, 2026 | B185556 |
| F2001001 | Certificate of Analysis | Dec 22, 2025 | B185556 |
| K2520138 | Certificate of Analysis | Nov 26, 2025 | B185556 |
| Molecular Weight | 233.030 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 231.954 Da |
| Monoisotopic Mass | 231.954 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 174.000 |
| 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 |
