≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Desiccated 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.
| Canonical Smiles | CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)Cl |
|---|---|
| IUPAC Name | N-(3-chloro-1,4-dioxonaphthalen-2-yl)acetamide |
| InChIKey | OMXMYDUYAUOFRX-UHFFFAOYSA-N |
| INCHI | 1S/C12H8ClNO3/c1-6(15)14-10-9(13)11(16)7-4-2-3-5-8(7)12(10)17/h2-5H,1H3,(H,14,15) |
| Isomeric SMILES | CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)Cl |
| Alternate CAS | 5397-78-4 |
| PubChem CID | 72754 |
| NSC Number | 4264 |
| MeSH Entry Terms | 2-acetylamino-3-chloro-1,4-naphthoquinone;NP-313 |
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 | Naphthalenes |
| Subclass | Naphthoquinones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthoquinones |
| Alternative Parents | Quinones Aryl ketones Vinylogous halides Vinylogous amides Alpha-chloroketones Acetamides Secondary carboxylic acid amides Vinyl chlorides Chloroalkenes Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Naphthoquinone - Quinone - Aryl ketone - Alpha-haloketone - Alpha-chloroketone - Acetamide - Vinylogous halide - Vinylogous amide - Carboxamide group - Ketone - Secondary carboxylic acid amide - Carboxylic acid derivative - Vinyl chloride - Vinyl halide - Chloroalkene - Haloalkene - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone). |
| External Descriptors | Not available |
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| Molecular Weight | 249.650 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 249.019 Da |
| Monoisotopic Mass | 249.019 Da |
| Topological Polar Surface Area | 63.200 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 427.000 |
| 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 |
