Determine the necessary mass, volume, or concentration for preparing a solution.
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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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B152727-5g
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5g |
3
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$14.90
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B152727-25g
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25g |
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
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$50.90
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B152727-50g
|
50g |
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
|
$91.90
|
|
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B152727-250g
|
250g |
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
|
$410.90
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| Synonyms | N-(4-Bromo-2-fluorophenyl)acetamide | 326-66-9 | 4'-Bromo-2'-fluoroacetanilide | 4-Bromo-2-fluoroacetanilide | Acetamide, N-(4-bromo-2-fluorophenyl)- | W3HCD2QTE4 | MFCD00042588 | EINECS 206-314-6 | UNII-W3HCD2QTE4 | SCHEMBL3472841 | DTXSID60186293 | N-Acetyl-2-fluoro-4-bromoa |
|---|---|
| Specifications & Purity | ≥98% |
| Shipped In | Normal |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Acetanilides - Haloacetanilides |
| Direct Parent | O-haloacetanilides |
| Alternative Parents | P-haloacetanilides N-acetylarylamines Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | O-haloacetanilide - P-haloacetanilide - N-acetylarylamine - N-arylamide - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Organobromide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as o-haloacetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group, which is in turn ortho-substituted with a halogen atom. |
| External Descriptors | Not available |
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| IUPAC Name | N-(4-bromo-2-fluorophenyl)acetamide |
|---|---|
| INCHI | InChI=1S/C8H7BrFNO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12) |
| InChIKey | BCYGKMDWQBWUSC-UHFFFAOYSA-N |
| Smiles | CC(=O)NC1=C(C=C(C=C1)Br)F |
| Isomeric SMILES | CC(=O)NC1=C(C=C(C=C1)Br)F |
| Molecular Weight | 232.05 |
| Reaxy-Rn | 3250459 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3250459&ln= |
| Melt Point(°C) | 155-158℃ |
|---|---|
| Molecular Weight | 232.050 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 230.97 Da |
| Monoisotopic Mass | 230.97 Da |
| Topological Polar Surface Area | 29.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 176.000 |
| 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 |