palladium(2+) {3-[(2E)-but-2-en-1-yl]-4-chloro-2',4',6'-triisopropyl-[1,1'-biphenyl]-2-yl}dicyclohexylphosphane

palladium(2+) {3-[(2E)-but-2-en-1-yl]-4-chloro-2',4',6'-triisopropyl-[1,1'-biphenyl]-2-yl}dicyclohexylphosphane

CAS: 1798782-02-1

Formula: C37H54ClPPd

SMILES: [Pd++].CC=CCC1=C(Cl)C=CC(=C1P(C1CCCCC1)C1CCCCC1)C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C

IUPAC: palladium(2+) {3-[(2E)-but-2-en-1-yl]-4-chloro-2',4',6'-tris(propan-2-yl)-[1,1'-biphenyl]-2-yl}dicyclohexylphosphane

InChI: InChI=1S/C37H54ClP.Pd/c1-8-9-20-31-35(38)22-21-32(36-33(26(4)5)23-28(25(2)3)24-34(36)27(6)7)37(31)39(29-16-12-10-13-17-29)30-18-14-11-15-19-30;/h8-9,21-27,29-30H,10-20H2,1-7H3;/q;+2/b9-8+;

Composition: C (66.16%), H (8.10%), Cl (5.28%), P (4.61%), Pd (15.84%)

Molar Mass: 671.68

Atom Count: 94

Heavy Atom Count: 40

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	670.267549
Formal Charge	2
FSP3	0.62
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	JKDXLSQCLASSTC-HRNDJLQDSA-N
Lipinski's Rule of Five
Molar Refractivity	176.47
Topological Polar Surface Area	0
Polarizability	70.11
Ring Count	4
Rotatable Bond Count	8

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	1798782-02-1		$127.36-$1,369.45$127.36$174.02$311.47$940.71$1,369.45