| CAS Number | 168106-22-7 |
| Catalog Number | AG00ADUG(AGN-PC-0Q97G4) |
| Chemical Name | Barium bis(trifluoromethanesulfonimide) |
| IUPAC Name | barium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide |
| InChI | InChI=1S/2C2HF6NO4S2.Ba/c2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h2*9H; |
| InChI Key | VJUKAFJLZPVWME-UHFFFAOYSA-N |
| MDL Number | MFCD22200529 |
| Molecular Formula | C4BaF12N2O8S4 |
| Molecular Weight | 697.6192 |
| SMILES | [N-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.[Ba+2].[N-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F |
| Synonyms | MFCD22200529,
168106-22-7,
Barium triflimide,
Barium Bis-triflimide,
VJUKAFJLZPVWME-UHFFFAOYSA-N,
Barium bis(trifluoromethanesulfonimide),
|
| Complexity | 374 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 699.755g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 22 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 699.614g/mol |
| Monoisotopic Mass | 699.755g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 194A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number