| Pubchem Sid | 504758325 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504758325 |
| Canonical Smiles | C1=CC2=C(C=C1F)C(=O)OC(=O)N2 |
| IUPAC Name | 6-fluoro-1H-3,1-benzoxazine-2,4-dione |
| InChIKey | UBKGOWGNYKVYEF-UHFFFAOYSA-N |
| INCHI | 1S/C8H4FNO3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,(H,10,12) |
| Isomeric SMILES | C1=CC2=C(C=C1F)C(=O)OC(=O)N2 |
| Molecular Weight | 181.12 |
| Reaxy-Rn | 168094 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=168094&ln= |
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 | Benzenoids Aryl fluorides Vinylogous amides Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoxazine - Aryl fluoride - Aryl halide - Benzenoid - Vinylogous amide - Heteroaromatic compound - Lactone - Oxacycle - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2422588 | Certificate of Analysis | Jun 22, 2024 | H303432 |
| K2422589 | Certificate of Analysis | Jun 22, 2024 | H303432 |
| H2126325 | Certificate of Analysis | Jun 18, 2024 | H303432 |
| H2126326 | Certificate of Analysis | Jun 18, 2024 | H303432 |
| H2126327 | Certificate of Analysis | Jun 18, 2024 | H303432 |
| Molecular Weight | 181.120 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 181.018 Da |
| Monoisotopic Mass | 181.018 Da |
| Topological Polar Surface Area | 55.400 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 256.000 |
| 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 |
