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tricyclohexylphosphine {2'-amino-[1,1'-biphenyl]-2-yl}palladiumylium mesylate

tricyclohexylphosphine {2'-amino-[1,1'-biphenyl]-2-yl}palladiumylium mesylate

CAS: 1445086-12-3

Formula: C31H46NO3PPdS

SMILES: CS([O-])(=O)=O.NC1=CC=CC=C1C1=CC=CC=C1[Pd+].C1CCC(CC1)P(C1CCCCC1)C1CCCCC1

IUPAC: tricyclohexylphosphane {2'-amino-[1,1'-biphenyl]-2-yl}palladiumylium methanesulfonate

InChI: InChI=1S/C18H33P.C12H10N.CH4O3S.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h16-18H,1-15H2;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;;;+1/p-1

Composition: C (57.27%), H (7.13%), N (2.15%), O (7.38%), P (4.76%), Pd (16.37%), S (4.93%)

Molar Mass: 650.17

Atom Count: 84

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 649.197083
Formal Charge 0
FSP3 0.61
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey HZVUEHVNPWCEIW-UHFFFAOYSA-M
Lipinski's Rule of Five
Molar Refractivity 90
Topological Polar Surface Area 0
Polarizability 34.45
Ring Count 5
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 1445086-12-3 $18.92$18.92
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