≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | COC1=C(C=C2C(=C1)OCC(=O)N2)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 7-methoxy-6-nitro-4H-1,4-benzoxazin-3-one |
| InChIKey | CXLKAEISRXXRII-UHFFFAOYSA-N |
| INCHI | 1S/C9H8N2O5/c1-15-8-3-7-5(2-6(8)11(13)14)10-9(12)4-16-7/h2-3H,4H2,1H3,(H,10,12) |
| Isomeric SMILES | COC1=C(C=C2C(=C1)OCC(=O)N2)[N+](=O)[O-] |
| PubChem CID | 68911849 |
| Molecular Weight | 224.17 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzoxazines |
| Subclass | Benzoxazinones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxazinones |
| Alternative Parents | Benzomorpholines Methoxyanilines Nitroaromatic compounds Anisoles Alkyl aryl ethers Secondary carboxylic acid amides Lactams Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoxazinone - Benzomorpholine - Methoxyaniline - Nitroaromatic compound - Anisole - Alkyl aryl ether - Benzenoid - Oxazinane - Organic nitro compound - Secondary carboxylic acid amide - C-nitro compound - Lactam - Carboxamide group - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoxazinones. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group. |
| External Descriptors | Not available |
| Molecular Weight | 224.170 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 224.043 Da |
| Monoisotopic Mass | 224.043 Da |
| Topological Polar Surface Area | 93.400 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 303.000 |
| 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 |
![7-Methoxy-6-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one - ≥98% , CAS No.878160-15-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)