| CAS Number | 1204574-42-4 |
| Catalog Number | AG008VFC(AGN-PC-0WBT3F) |
| Chemical Name | 2,3,6-Trifluorobenzenesulfonamide |
| IUPAC Name | 2,3,6-trifluorobenzenesulfonamide |
| InChI | InChI=1S/C6H4F3NO2S/c7-3-1-2-4(8)6(5(3)9)13(10,11)12/h1-2H,(H2,10,11,12) |
| InChI Key | YRAITQGEDDYCMA-UHFFFAOYSA-N |
| MDL Number | MFCD12922565 |
| Molecular Formula | C6H4F3NO2S |
| Molecular Weight | 211.1617 |
| SMILES | NS(C1=C(F)C(F)=CC=C1F)(=O)=O |
| Synonyms | 2,3,6-Trifluorobenzenesulfonamide,
1204574-42-4,
SCHEMBL2776177,
DTXSID10593635,
0952AD,
BBL101885,
STL555682,
ZINC40571849,
2,3,6-Trifluorobenzene-1-sulfonamide,
AKOS016015617,
Z-0111,
C6H4F3NO2S,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.158g/mol |
| Monoisotopic Mass | 210.991g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number