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[2'-(di-tert-butylphosphanyl)-[1,1'-biphenyl]-2-yl]palladiumylium; acetate ion

[2'-(di-tert-butylphosphanyl)-[1,1'-biphenyl]-2-yl]palladiumylium; acetate ion

CAS: 577971-19-8

Formula: C22H29O2PPd

SMILES: CC([O-])=O.CC(C)(C)P(C1=CC=CC=C1C1=CC=CC=C1[Pd+])C(C)(C)C

IUPAC: [2'-(di-tert-butylphosphanyl)-[1,1'-biphenyl]-2-yl]palladiumylium acetate

InChI: InChI=1S/C20H26P.C2H4O2.Pd/c1-19(2,3)21(20(4,5)6)18-15-11-10-14-17(18)16-12-8-7-9-13-16;1-2(3)4;/h7-12,14-15H,1-6H3;1H3,(H,3,4);/q;;+1/p-1

Composition: C (57.09%), H (6.32%), O (6.91%), P (6.69%), Pd (22.99%)

Molar Mass: 462.87

Atom Count: 55

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 462.093997
Formal Charge 0
FSP3 0.41
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey IEYDYAASBZOBOC-UHFFFAOYSA-M
Lipinski's Rule of Five 1
Molar Refractivity 94.23
Topological Polar Surface Area 0
Polarizability 42.6
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 577971-19-8 $42.87-$56.75$42.87$56.75
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