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1445085-77-7

1445085-77-7 | Palladium, [2'-(amino-κN)[1,1'-biphenyl]-2-yl-κC][[2',6'-bis(1-methylethoxy)[1,1'-biphenyl]-2-yl]dicyclohexylphosphine-κP](methanesulfonato-κO)-

CAS No: 1445085-77-7 Catalog No: AG001JNR MDL No:MFCD22572684

Product Description

Catalog Number:
AG001JNR
Chemical Name:
Palladium, [2'-(amino-κN)[1,1'-biphenyl]-2-yl-κC][[2',6'-bis(1-methylethoxy)[1,1'-biphenyl]-2-yl]dicyclohexylphosphine-κP](methanesulfonato-κO)-
CAS Number:
1445085-77-7
Molecular Formula:
C43H56NO5PPdS
Molecular Weight:
836.3672
MDL Number:
MFCD22572684
IUPAC Name:
dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;methanesulfonic acid;palladium;2-phenylaniline
InChI:
InChI=1S/C30H43O2P.C12H10N.CH4O3S.Pd/c1-22(2)31-27-19-13-20-28(32-23(3)4)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h11-13,18-25H,5-10,14-17H2,1-4H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1;;
InChI Key:
GYTUQNMMIUJBSP-UHFFFAOYSA-N
SMILES:
Nc1ccccc1c1ccccc1[Pd]OS(=O)(=O)C.CC(Oc1cccc(c1c1ccccc1P(C1CCCCC1)C1CCCCC1)OC(C)C)C

Properties

Complexity:
965  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
836.273g/mol
Formal Charge:
-1  
Heavy Atom Count:
52  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
837.385g/mol
Monoisotopic Mass:
836.273g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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