≥95% 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 | C1C(=O)N(C2=C(O1)C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=N3 |
|---|---|
| IUPAC Name | 7-nitro-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one |
| InChIKey | BVXQKNPVJURLCC-UHFFFAOYSA-N |
| INCHI | 1S/C14H11N3O4/c18-14-9-21-13-7-11(17(19)20)4-5-12(13)16(14)8-10-3-1-2-6-15-10/h1-7H,8-9H2 |
| Molecular Weight | 285.25 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 Nitroaromatic compounds Alkyl aryl ethers Pyridines and derivatives Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoxazinone - Benzomorpholine - Nitroaromatic compound - Alkyl aryl ether - Oxazinane - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Lactam - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic salt - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic cation - 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 | 285.250 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 285.075 Da |
| Monoisotopic Mass | 285.075 Da |
| Topological Polar Surface Area | 88.300 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 412.000 |
| 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-Nitro-4-(pyridin-2-ylmethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one - ≥95% , CAS No.120101-66-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)