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palladium(2+) 2'-amino-1,1'-biphenyl-2-yl sphos dimesylate

palladium(2+) 2'-amino-1,1'-biphenyl-2-yl sphos dimesylate

CAS: 1445085-82-4

Formula: C40H51NO8PPdS2

SMILES: [Pd++].CS([O-])(=O)=O.CS([O-])(=O)=O.NC1=CC=CC=C1C1=[C]C=CC=C1.COC1=CC=CC(OC)=C1C1=CC=CC=C1P(C1CCCCC1)C1CCCCC1

IUPAC: palladium(2+) 2'-amino-1,1'-biphenyl-2-yl dicyclohexyl({2',6'-dimethoxy-[1,1'-biphenyl]-2-yl})phosphane dimethanesulfonate

InChI: InChI=1S/C26H35O2P.C12H10N.2CH4O3S.Pd/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;2*1-5(2,3)4;/h9-11,16-21H,3-8,12-15H2,1-2H3;1-6,8-9H,13H2;2*1H3,(H,2,3,4);/q;;;;+2/p-2

Composition: C (54.88%), H (5.87%), N (1.60%), O (14.62%), P (3.54%), Pd (12.16%), S (7.32%)

Molar Mass: 875.36

Atom Count: 104

Heavy Atom Count: 53

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 874.182852
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey AQTMWZHNZGAKON-UHFFFAOYSA-L
Lipinski's Rule of Five
Molar Refractivity 122.06
Topological Polar Surface Area 18.46
Polarizability 49.75
Ring Count 6
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 1445085-82-4 $5.75-$25.30$5.75$9.20$25.30
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