Chloro(1,5-cyclooctadiene)methylpalladium(II)

Catalog Number	ACM63936856-1
CAS	63936-85-6
Structure
Synonyms	Carbanide,chloropalladium(1+),(1Z,5Z)-cycloocta-1,5-diene
IUPAC Name	carbanide;chloropalladium(1+);(1Z,5Z)-cycloocta-1,5-diene;
Molecular Weight	265.09
Molecular Formula	C9H15ClPd
Canonical SMILES	[CH3-].C1CC=CCCC=C1.Cl[Pd+]
InChI	InChI=1S/C8H12.CH3.ClH.Pd/c1-2-4-6-8-7-5-3-1;/h1-2,7-8H,3-6H2;1H3;1H;/q;-1;+2/p-1/b2-1-,8-7-;
InChI Key	JRDZAJXSFXHJHS-PHFPKPIQSA-M
Melting Point	124-129 °C
Purity	98%
Appearance	Light grey powder
Complexity	77.4
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Exact Mass	263.98971
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isomeric SMILES	[CH3-].C1/C=C\CC/C=C\C1.Cl[Pd+]
Monoisotopic Mass	263.98971
Rotatable Bond Count	0
Topological Polar Surface Area	0 Ų