| CAS Number | 1820605-06-8 |
| Catalog Number | AG00I0GK |
| Chemical Name | 3-Fluoro-4-methanesulfonamidobenzamide |
| IUPAC Name | 3-fluoro-4-(methanesulfonamido)benzamide |
| InChI | InChI=1S/C8H9FN2O3S/c1-15(13,14)11-7-3-2-5(8(10)12)4-6(7)9/h2-4,11H,1H3,(H2,10,12) |
| InChI Key | IJSKNQSSWCUHEI-UHFFFAOYSA-N |
| MDL Number | MFCD28096641 |
| Molecular Formula | C8H9FN2O3S |
| Molecular Weight | 232.2321 |
| SMILES | Fc1cc(ccc1NS(=O)(=O)C)C(=O)N |
| Synonyms | 1820605-06-8,
3-Fluoro-4-(methylsulfonamido)benzamide,
3-FLUORO-4-METHANESULFONAMIDOBENZAMIDE,
SCHEMBL2209856,
AKOS027373279,
ZINC118302924,
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| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.229g/mol |
| Monoisotopic Mass | 232.032g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 97.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number