| CAS Number | 139139-81-4 |
| Catalog Number | AG009IPV(AGN-PC-0PNWKA) |
| Chemical Name | Bis(4-bromophenyl)iodonium trifluoromethanesulfonate |
| IUPAC Name | bis(4-bromophenyl)iodanium;trifluoromethanesulfonate |
| InChI | InChI=1S/C12H8Br2I.CHF3O3S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;2-1(3,4)8(5,6)7/h1-8H;(H,5,6,7)/q+1;/p-1 |
| InChI Key | HJAMWVFQXYTJBE-UHFFFAOYSA-M |
| MDL Number | MFCD21608478 |
| Molecular Formula | C13H8Br2F3IO3S |
| Molecular Weight | 587.9735 |
| SMILES | O=S([O-])(C(F)(F)F)=O.BrC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)Br |
| Synonyms | Bis(4-bromophenyl)iodonium triflate,
139139-81-4,
MFCD21608478,
Bis(4-bromophenyl)iodonium trifluoromethanesulfonate,
Bis(4-bromophenyl)iodonium triflate, >=98% (HPLC),
(+)-Bicuculline,
CID11467399,
IUPAC: Bis(4-bromophenyl)iodanium; Trifluoromethanesulfonate,
485-49-4,
|
| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 587.754g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 587.972g/mol |
| Monoisotopic Mass | 585.756g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number