| CAS Number | 121287-02-3 |
| Catalog Number | AG00HG2O(AGN-PC-0WR1FV) |
| Chemical Name | N-(4-tert-Butylphenyl) bis-trifluoromethane sulfonimide |
| IUPAC Name | N-(4-tert-butylphenyl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide |
| InChI | InChI=1S/C12H13F6NO4S2/c1-10(2,3)8-4-6-9(7-5-8)19(24(20,21)11(13,14)15)25(22,23)12(16,17)18/h4-7H,1-3H3 |
| InChI Key | JSAPQUASEXOFNZ-UHFFFAOYSA-N |
| MDL Number | MFCD16875668 |
| Molecular Formula | C12H13F6NO4S2 |
| Molecular Weight | 413.3563 |
| SMILES | N(S(C(F)(F)F)(=O)=O)(S(=O)(=O)C(F)(F)F)C1C=CC(C(C)(C)C)=CC=1 |
| Synonyms | 121287-02-3,
N-(4-tert-Butylphenyl) bis-trifluoromethane sulfonimide,
N-(4-tert-Butylphenyl)bis(trifluoromethanesulfonimide),
SCHEMBL19376860,
DTXSID00575480,
ZINC59227979,
N-(4-tert-Butylphenyl)bis(trifluoromethylsulfonyl)amine,
N-(4-tert-Butylphenyl)bis(trifluoromethanesulfonimide), 97%,
N-(4-tert-Butylphenyl)-1,1,1-trifluoro-N-(trifluoromethanesulfonyl)methanesulfonamide,
N-[4-(1,1-Dimethylethyl)phenyl]-1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]-methanesulfonamide,
|
| Complexity | 628 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 413.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 413.349g/mol |
| Monoisotopic Mass | 413.019g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number