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[2'-(methylamino)-[1,1'-biphenyl]-2-yl]palladiumylium dicyclohexyl({2',6'-diisopropoxy-[1,1'-biphenyl]-2-yl})phosphane mesylate

[2'-(methylamino)-[1,1'-biphenyl]-2-yl]palladiumylium dicyclohexyl({2',6'-diisopropoxy-[1,1'-biphenyl]-2-yl})phosphane mesylate

CAS: 1599466-85-9

Formula: C44H58NO5PPdS

SMILES: CS([O-])(=O)=O.CNC1=CC=CC=C1C1=CC=CC=C1[Pd+].CC(C)OC1=CC=CC(OC(C)C)=C1C1=CC=CC=C1P(C1CCCCC1)C1CCCCC1

IUPAC: [2',6'-bis(propan-2-yloxy)-[1,1'-biphenyl]-2-yl]dicyclohexylphosphane [2'-(methylamino)-[1,1'-biphenyl]-2-yl]palladiumylium methanesulfonate

InChI: InChI=1S/C30H43O2P.C13H12N.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;1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11;1-5(2,3)4;/h11-13,18-25H,5-10,14-17H2,1-4H3;2-7,9-10,14H,1H3;1H3,(H,2,3,4);/

Composition: C (62.15%), H (6.87%), N (1.65%), O (9.41%), P (3.64%), Pd (12.51%), S (3.77%)

Molar Mass: 850.4

Atom Count: 111

Heavy Atom Count: 53

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 849.280812
Formal Charge 0
FSP3 0.45
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey FDRWYHUTZOCVSQ-UHFFFAOYSA-M
Lipinski's Rule of Five
Molar Refractivity 140.4
Topological Polar Surface Area 18.46
Polarizability 57.14
Ring Count 6
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 1599466-85-9 $22.70-$567.45$22.70$44.14$136.19$567.45
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