≥96% 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 | B(C1=CC2=C(C(=C1)F)OCCN2)(O)O |
|---|---|
| IUPAC Name | (8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-6-yl)boronic acid |
| InChIKey | WDQWWPUHGOOVME-UHFFFAOYSA-N |
| INCHI | 1S/C8H9BFNO3/c10-6-3-5(9(12)13)4-7-8(6)14-2-1-11-7/h3-4,11-13H,1-2H2 |
| Isomeric SMILES | B(C1=CC2=C(C(=C1)F)OCCN2)(O)O |
| PubChem CID | 56776704 |
| Molecular Weight | 196.97 |
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 | Organoheterocyclic compounds |
| Class | Benzoxazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxazines |
| Alternative Parents | Benzomorpholines Secondary alkylarylamines Alkyl aryl ethers Benzenoids Aryl fluorides Boronic acids Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organometalloid compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzomorpholine - Benzoxazine - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Oxazinane - Benzenoid - Boronic acid derivative - Boronic acid - Oxacycle - Azacycle - Organic metalloid salt - Secondary amine - Ether - Organooxygen compound - Organohalogen compound - Organic metalloid moeity - Organofluoride - Hydrocarbon derivative - Organic oxygen compound - Amine - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom). |
| External Descriptors | Not available |
| Molecular Weight | 196.970 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 197.066 Da |
| Monoisotopic Mass | 197.066 Da |
| Topological Polar Surface Area | 61.700 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 207.000 |
| 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 |
