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bis(adamantan-1-yl)(butyl)phosphane; methanesulfonic acid; {2'-amino-[1,1'-biphenyl]-2-yl}palladiumbis(ylium)

bis(adamantan-1-yl)(butyl)phosphane; methanesulfonic acid; {2'-amino-[1,1'-biphenyl]-2-yl}palladiumbis(ylium)

CAS: 2230788-67-5

Formula: C37H53NO3PPdS

SMILES: CS(O)(=O)=O.NC1=CC=CC=C1C1=CC=CC=C1[Pd++].CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2

IUPAC: bis(adamantan-1-yl)(butyl)phosphane; methanesulfonic acid; {2'-amino-[1,1'-biphenyl]-2-yl}palladiumbis(ylium)

InChI: InChI=1S/C24H39P.C12H10N.CH4O3S.Pd/c1-2-3-4-25(23-11-17-5-18(12-23)7-19(6-17)13-23)24-14-20-8-21(15-24)10-22(9-20)16-24;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h17-22H,2-16H2,1H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;;;+2

Composition: C (60.94%), H (7.33%), N (1.92%), O (6.58%), P (4.25%), Pd (14.59%), S (4.40%)

Molar Mass: 729.29

Atom Count: 97

Heavy Atom Count: 44

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 728.250761
Formal Charge 2
FSP3 0.68
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey VUKYEAYCIOJQIJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 112.11
Topological Polar Surface Area 0
Polarizability 43.31
Ring Count 8
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 2230788-67-5 $90.79-$997.45$90.79$127.36$326.60$997.45
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