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(1R,4S)-bicyclo[2.2.1]heptan-2-yl((1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl)phosphane [2'-(dimethylamino)-[1,1'-biphenyl]-2-yl]palladiumylium chloride

(1R,4S)-bicyclo[2.2.1]heptan-2-yl((1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl)phosphane [2'-(dimethylamino)-[1,1'-biphenyl]-2-yl]palladiumylium chloride

CAS: 359803-53-5

Formula: C28H37ClNPPd

SMILES: [Cl-].C1C[C@@H]2C[C@H]1CC2P[C@H]1C[C@@H]2CC[C@H]1C2.CN(C)C1=CC=CC=C1C1=CC=CC=C1[Pd+]

IUPAC: [(1R,4S)-bicyclo[2.2.1]heptan-2-yl][(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]phosphane [2'-(dimethylamino)-[1,1'-biphenyl]-2-yl]palladiumylium chloride

InChI: InChI=1S/C14H14N.C14H23P.ClH.Pd/c1-15(2)14-11-7-6-10-13(14)12-8-4-3-5-9-12;1-3-11-5-9(1)7-13(11)15-14-8-10-2-4-12(14)6-10;;/h3-8,10-11H,1-2H3;9-15H,1-8H2;1H;/q;;;+1/p-1/t;9-,10-,11-,12-,13+,14?;;/m.1../s1

Composition: C (60.01%), H (6.65%), Cl (6.33%), N (2.50%), P (5.53%), Pd (18.99%)

Molar Mass: 560.45

Atom Count: 69

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 6
Exact Mass 559.138695
Formal Charge 0
FSP3 0.57
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey YMZCYRNVJBOOCT-JXQHETOASA-M
Lipinski's Rule of Five
Molar Refractivity 65.04
Topological Polar Surface Area 3.24
Polarizability 29.99
Ring Count 6
Rotatable Bond Count 4

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