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

• CAS: 63936-85-6
• Catalog Number: ACM63936856-1
• Category: Palladium series catalysts
• Molecular Weight: 265.09
• Molecular Formula: C9H15ClPd
• Synonyms: Carbanide,chloropalladium(1+),(1Z,5Z)-cycloocta-1,5-diene
• IUPAC Name: carbanide;chloropalladium(1+);(1Z,5Z)-cycloocta-1,5-diene
• 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
• Appearance: Light grey powder
• Complexity: 77.4
• Covalently-Bonded Unit Count: 3
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Exact Mass: 263.98971
• H-Bond Acceptor: 1
• 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