| CAS Number | 1401912-25-1 |
| Catalog Number | AG01DTMY |
| Chemical Name | 6-fluoro-1,2λ⁶,3-benzoxathiazine-2,2-dione |
| IUPAC Name | 6-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide |
| InChI | InChI=1S/C7H4FNO3S/c8-6-1-2-7-5(3-6)4-9-13(10,11)12-7/h1-4H |
| InChI Key | WQVBCXDOUNURFR-UHFFFAOYSA-N |
| MDL Number | MFCD31801889 |
| Molecular Formula | C7H4FNO3S |
| Molecular Weight | 201.1750 |
| SMILES | Fc1ccc2OS(=O)(=O)N=Cc2c1 |
| Synonyms | 6-Fluorobenzo[e][1,2,3]oxathiazine 2,2-dioxide,
1401912-25-1,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.171g/mol |
| Monoisotopic Mass | 200.99g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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