XPhos-Pd-G2 GT capsule

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Molecular Formula:

C45H59ClNPPd

Molecular Weight:

786.80

Product Information

Molecular Formula:

C45H59ClNPPd

Molecular Weight:

786.80

Description

Convenient dosable form of XPhos-Pd-G2

IUPAC Name

chloropalladium(1+)2-[2-(dicyclohexylmethyl)phenyl]-1,3,5-tri(propan-2-yl)benzene2-phenylaniline

Canonical SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2C(C3CCCCC3)C4CCCCC4)C(C)C.C1=CC=C([C-]=C1)C2=CC=CC=C2N.Cl[Pd+]

InChI

InChI=1S/C34H50.C12H10N.ClH.Pd/c1-23(2)28-21-31(24(3)4)34(32(22-28)25(5)6)30-20-14-13-19-29(30)33(26-15-9-7-10-16-26)27-17-11-8-12-18-2713-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h13-14,19-27,33H,7-12,15-18H2,1-6H31-6,8-9H,13H21H/q-1+2/p-1

InChI Key

FGATWWSCIRXMKJ-UHFFFAOYSA-M

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

767.34491 g/mol

Monoisotopic Mass

767.34491 g/mol

Topological Polar Surface Area

26Å²

Heavy Atom Count

Formal Charge

Complexity

810

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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XPhos-Pd-G2 GT capsule

Product Information

Computed Properties

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