Home Other Building Blocks tBuXPhos-Pd-G3

tBuXPhos-Pd-G3

CAS No.:
1447963-75-8
Catalog Number:
AG001K69
Molecular Formula:
C42H58NO3PPdS
Molecular Weight:
794.3736
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$59
- +
5g
95%
In Stock USA
United States
$237
- +
25g
95%
In Stock USA
United States
$452
- +
Product Description
Catalog Number:
AG001K69
Chemical Name:
tBuXPhos-Pd-G3
CAS Number:
1447963-75-8
Molecular Formula:
C42H58NO3PPdS
Molecular Weight:
794.3736
MDL Number:
MFCD22666411
IUPAC Name:
ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methanesulfonic acid;palladium;2-phenylaniline
InChI:
InChI=1S/C29H45P.C12H10N.CH4O3S.Pd/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h13-21H,1-12H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1;;
InChI Key:
IKNBBVYTGIKLPA-UHFFFAOYSA-N
SMILES:
CC(c1cc(C(C)C)c(c(c1)C(C)C)c1ccccc1P(C(C)(C)C)C(C)(C)C)C.Nc1ccccc1c1ccccc1[Pd]OS(=O)(=O)C
Properties
Complexity:
935  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
794.299g/mol
Formal Charge:
-1  
Heavy Atom Count:
49  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
795.392g/mol
Monoisotopic Mass:
794.299g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties