| CAS Number | 2102544-35-2 |
| Catalog Number | AG01FR23(AGN-PC-3H5PE6) |
| Chemical Name | JackiePhos Pd G3 |
| IUPAC Name | bis[3,5-bis(trifluoromethyl)phenyl]-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methanesulfonic acid;palladium;2-phenylaniline |
| InChI | InChI=1S/C39H37F12O2P.C12H10N.CH4O3S.Pd/c1-19(2)22-11-29(20(3)4)33(30(12-22)21(5)6)34-31(52-7)9-10-32(53-8)35(34)54(27-15-23(36(40,41)42)13-24(16-27)37(43,44)45)28-17-25(38(46,47)48)14-26(18-28)39(49,50)51;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h9-21H,1-8H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1;; |
| InChI Key | VUXQLXUMYKLNDY-UHFFFAOYSA-N |
| MDL Number | MFCD22572672 |
| Molecular Formula | C52H50F12NO5PPdS |
| Molecular Weight | 1166.3967 |
| SMILES | CC(C1=CC(C(C)C)=C(C2=C(OC)C=CC(OC)=C2[P](C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)([Pd+2]4([O-]S(C)(=O)=O)[C-]5=CC=CC=C5C6=CC=CC=C6[NH2]4)C7=CC(C(F)(F)F)=CC(C(F)(F)F)=C7)C(C(C)C)=C1)C |
| Synonyms | JackiePhos Pd G3, 95%,
2102544-35-2,
|
| Complexity | 1520 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 1166.20688g/mol |
| Formal Charge | -1 |
| Heavy Atom Count | 73 |
| Hydrogen Bond Acceptor Count | 19 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 1167.4g/mol |
| Monoisotopic Mass | 1166.20688g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 107Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number