| Canonical Smiles | CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])F |
|---|---|
| IUPAC Name | N-(2-fluoro-4-nitrophenyl)acetamide |
| InChIKey | KFSFGCHQQCRZBB-UHFFFAOYSA-N |
| INCHI | 1S/C8H7FN2O3/c1-5(12)10-8-3-2-6(11(13)14)4-7(8)9/h2-4H,1H3,(H,10,12) |
| Isomeric SMILES | CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])F |
| Molecular Weight | 198.155 |
| Reaxy-Rn | 2845601 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2845601&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →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 | Nitrobenzenes N-acetylarylamines Nitroaromatic compounds Fluorobenzenes Aryl fluorides Acetamides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organofluorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | O-haloacetanilide - N-acetylarylamine - Nitrobenzene - Nitroaromatic compound - N-arylamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Acetamide - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organohalogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - 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 |
| Molecular Weight | 198.150 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 198.044 Da |
| Monoisotopic Mass | 198.044 Da |
| Topological Polar Surface Area | 74.900 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 241.000 |
| 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 |
