| CAS Number | 141956-37-8 |
| Catalog Number | AG019RVU(AGN-PC-0PRME4) |
| Chemical Name | 3-(Trifluoromethane)sulfonamidopropanoic acid |
| IUPAC Name | 3-(trifluoromethylsulfonylamino)propanoic acid |
| InChI | InChI=1S/C4H6F3NO4S/c5-4(6,7)13(11,12)8-2-1-3(9)10/h8H,1-2H2,(H,9,10) |
| InChI Key | VVKOBHARLVYDML-UHFFFAOYSA-N |
| MDL Number | MFCD11649572 |
| Molecular Formula | C4H6F3NO4S |
| Molecular Weight | 221.1549 |
| SMILES | OC(CCNS(C(F)(F)F)(=O)=O)=O |
| Synonyms | 3-trifluoromethanesulfonamidopropanoic acid,
141956-37-8,
SCHEMBL15116358,
ZINC37461856,
AKOS009398444,
NE53094,
3-(trifluoromethane)sulfonamidopropanoic acid,
EN300-90646,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.15g/mol |
| Monoisotopic Mass | 220.997g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number