| CAS Number | 1864801-79-5 |
| Catalog Number | AG01DZ61 |
| Chemical Name | 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzene-1-sulfonamide |
| IUPAC Name | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzenesulfonamide |
| InChI | InChI=1S/C13H17BF3NO4S/c1-11(2)12(3,4)22-14(21-11)8-5-6-10(23(18,19)20)9(7-8)13(15,16)17/h5-7H,1-4H3,(H2,18,19,20) |
| InChI Key | ASVCPGASCQEZNP-UHFFFAOYSA-N |
| MDL Number | MFCD16996390 |
| Molecular Formula | C13H17BF3NO4S |
| Molecular Weight | 351.1496 |
| SMILES | CC1(C(C)(C)OB(C2=CC(C(F)(F)F)=C(S(N)(=O)=O)C=C2)O1)C |
| Synonyms | 1864801-79-5,
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE,
MB20654,
|
| Complexity | 543 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 351.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 351.147g/mol |
| Monoisotopic Mass | 351.092g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number