| CAS Number | 1803566-47-3 |
| Catalog Number | AG01BFOR |
| Chemical Name | 5-fluoro-3-imino-2,3-dihydro-1lambda6,2-benzothiazole-1,1-dione |
| IUPAC Name | 5-fluoro-1,1-dioxo-1,2-benzothiazol-3-amine |
| InChI | InChI=1S/C7H5FN2O2S/c8-4-1-2-6-5(3-4)7(9)10-13(6,11)12/h1-3H,(H2,9,10) |
| InChI Key | YQZCBQFZLNBTND-UHFFFAOYSA-N |
| MDL Number | MFCD28118673 |
| Molecular Formula | C7H5FN2O2S |
| Molecular Weight | 200.1902 |
| SMILES | FC1=CC2C(NS(=O)(=O)C=2C=C1)=N |
| Synonyms | 1803566-47-3,
5-fluoro-3-imino-2,3-dihydro-1,2-benzothiazole-1,1-dione,
ZINC98209862,
5-fluoro-3-imino-2,3-dihydro-1lambda,2-benzothiazole-1,1-dione,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.187g/mol |
| Monoisotopic Mass | 200.006g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 80.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number