| CAS Number | 648904-89-6 |
| Catalog Number | AG01DWKN(AGN-PC-0TEB3Z) |
| Chemical Name | 2-(4-TRIFLUOROMETHANESULFONYL-PHENYL)-4,4,5,5-TETRAMETHYL-[1,3,2] DIOXABOROLANE |
| IUPAC Name | 4,4,5,5-tetramethyl-2-[4-(trifluoromethylsulfonyl)phenyl]-1,3,2-dioxaborolane |
| InChI | InChI=1S/C13H16BF3O4S/c1-11(2)12(3,4)21-14(20-11)9-5-7-10(8-6-9)22(18,19)13(15,16)17/h5-8H,1-4H3 |
| InChI Key | SGJLAYCQVDMZOM-UHFFFAOYSA-N |
| MDL Number | MFCD28969495 |
| Molecular Formula | C13H16BF3O4S |
| Molecular Weight | 336.1349 |
| SMILES | CC1(OB(OC1(C)C)C1=CC=C(C=C1)S(=O)(=O)C(F)(F)F)C |
| Synonyms | SCHEMBL2411475,
SGJLAYCQVDMZOM-UHFFFAOYSA-N,
2-(4-TRIFLUOROMETHANESULFONYL-PHENYL)-4,4,5,5-TETRAMETHYL-[1,3,2] DIOXABOROLANE,
2-(4-trifluoromethanesulfonyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane,
4,4,5,5-tetramethyl-2-(4-trifluoromethanesulfonyl-phenyl)-[1,3,2]dioxaborolane,
648904-89-6,
|
| Complexity | 500 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.132g/mol |
| Monoisotopic Mass | 336.081g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Lot Number