| CAS Number | 841251-37-4 |
| Catalog Number | AG00G9LA(AGN-PC-0UQJRP) |
| Chemical Name | 1-Ethyl-3-methylpyridinium Bis(trifluoromethanesulfonyl)imide |
| IUPAC Name | bis(trifluoromethylsulfonyl)azanide;1-ethyl-3-methylpyridin-1-ium |
| InChI | InChI=1S/C8H12N.C2F6NO4S2/c1-3-9-6-4-5-8(2)7-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-7H,3H2,1-2H3;/q+1;-1 |
| InChI Key | UZIAGXMMNLATPP-UHFFFAOYSA-N |
| MDL Number | MFCD10566901 |
| Molecular Formula | C10H12F6N2O4S2 |
| Molecular Weight | 402.3337 |
| SMILES | CC[N+]1=CC(C)=CC=C1.FC(F)(S(=O)([N-]S(=O)(C(F)(F)F)=O)=O)F |
| Synonyms | 1-Ethyl-3-methylpyridinium Bis(trifluoromethanesulfonyl)imide,
841251-37-4,
SCHEMBL7803221,
DTXSID80693671,
MFCD10566901,
E0756,
1-Ethyl-3-methylpyridinium bis(trifluoromethylsulfonyl)imide,
1-Ethyl-3-methylpyridin-1-ium bis(trifluoromethanesulfonyl)azanide,
|
| Complexity | 454 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 402.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 402.326g/mol |
| Monoisotopic Mass | 402.014g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 89.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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