binap; palladium chloride

binap; palladium chloride

CAS: 127593-28-6

Formula: C44H32Cl2P2Pd

SMILES: Cl[Pd]Cl.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=C(C2=CC=CC=C2C=C1)C1=C(C=CC2=CC=CC=C12)P(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: [2'-(diphenylphosphanyl)-[1,1'-binaphthalen]-2-yl]diphenylphosphane; dichloropalladium

InChI: InChI=1S/C44H32P2.2ClH.Pd/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;;;/h1-32H;2*1H;/q;;;+2/p-2

Composition: C (66.06%), H (4.03%), Cl (8.86%), P (7.74%), Pd (13.30%)

Molar Mass: 800.01

Atom Count: 81

Heavy Atom Count: 49

Properties

Properties

Common Names	N/A
Aromatic Ring Count	8
Asymmetric Atom Count	0
Exact Mass	798.03911
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	VDHAUMFISVWIRX-UHFFFAOYSA-L
Lipinski's Rule of Five
Molar Refractivity	195.22
Topological Polar Surface Area	0
Polarizability	80.67
Ring Count	8
Rotatable Bond Count	6

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