Dichloro(1,5-cyclooctadiene)palladium(II)

Catalog Number	ACM12107561-2
CAS	12107-56-1
Structure
Synonyms	Dichloro[(1,2,5,6-eta)-1,5-cyclooctadiene]-palladiu
IUPAC Name	(1Z,5Z)-cycloocta-1,5-diene;dichloropalladium;
Molecular Weight	285.51
Molecular Formula	C8H12Cl2Pd
Canonical SMILES	C1CC=CCCC=C1.Cl[Pd]Cl
InChI	InChI=1S/C8H12.2ClH.Pd/c1-2-4-6-8-7-5-3-1;/h1-2,7-8H,3-6H2;2*1H;/q;+2/p-2/b2-1-,8-7-;
InChI Key	RRHPTXZOMDSKRS-PHFPKPIQSA-L
Melting Point	210 °C
Purity	98%
Appearance	Yellow powder
Application	Amination→Buchwald-Hartwig Aminaton; Carbonylation; Cross Coupling Reactions with Arenes→Mizoroki Heck Coupling Reaction; Cross Coupling Reactions with Arenes→Suzuki-Miyaura Coupling Reaction;
Complexity	75.4
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
EC Number	235-161-8
Exact Mass	283.93509
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isomeric SMILES	C1/C=C\CC/C=C\C1.Cl[Pd]Cl
Monoisotopic Mass	283.93509
Rotatable Bond Count	0
Topological Polar Surface Area	0 Ų

Q&A

What is the molecular formula of Dichloro(1,5-cyclooctadiene)palladium(II)?

The molecular formula is C8H12Cl2Pd.

What is the molecular weight of Dichloro(1,5-cyclooctadiene)palladium(II)?

The molecular weight is 285.50 g/mol.

What are the synonyms for Dichloro(1,5-cyclooctadiene)palladium(II)?

The synonyms are PdCl2(cod), Dichloro(1,5-cyclooctadiene)palladium, Palladium, dichloro((1,2,5,6-eta)-1,5-cyclooctadiene)-, and more.

What is the IUPAC name of Dichloro(1,5-cyclooctadiene)palladium(II)?

The IUPAC name is (1Z,5Z)-cycloocta-1,5-diene;dichloropalladium.

What is the InChI of Dichloro(1,5-cyclooctadiene)palladium(II)?

The InChI is InChI=1S/C8H12.2ClH.Pd/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H;/q;;;+2/p-2/b2-1-,8-7-;;;.

What is the InChIKey of Dichloro(1,5-cyclooctadiene)palladium(II)?

The InChIKey is RRHPTXZOMDSKRS-PHFPKPIQSA-L.

What is the canonical SMILES of Dichloro(1,5-cyclooctadiene)palladium(II)?

The canonical SMILES is C1CC=CCCC=C1.Cl[Pd]Cl.

How many hydrogen bond donor counts does Dichloro(1,5-cyclooctadiene)palladium(II) have?

It has 0 hydrogen bond donor counts.

What is the topological polar surface area of Dichloro(1,5-cyclooctadiene)palladium(II)?

The topological polar surface area is 0-2.

Is Dichloro(1,5-cyclooctadiene)palladium(II) a canonicalized compound?

Yes, it is a canonicalized compound.