Chloro[[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](acetanilide)palladium(II)]

• Catalog Number: ACM1228009695-1
• Product Name: Chloro[[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](acetanilide)palladium(II)]
• CAS: 1228009-69-5
• Category: Heterocyclic Organic Compound
• Synonyms: [1,3-Bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium;N-phenylacetamide;chloride
• IUPAC Name: [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium;N-phenylacetamide;chloride
• Molecular Weight: 664.6
• Molecular Formula: C35H44ClN3OPd
• Canonical SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N2C=CN(C2=[Pd])C3=C(C=CC=C3C(C)C)C(C)C.CC(=O)NC1=CC=CC=[C-]1.[Cl-]
• InChI: InChI=1S/C27H36N2.C8H8NO.ClH.Pd/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-7(10)9-8-5-3-2-4-6-8;/h9-16,18-21H,1-8H3;2-5H,1H3,(H,9,10);1H;/q;-1;/p-1
• InChI Key: HUZJVJUMFACGKJ-UHFFFAOYSA-M
• Complexity: 749
• Covalently-Bonded Unit Count: 3
• Defined Atom Stereocenter Count: 0
• Exact Mass: 663.22077
• H-Bond Acceptor: 5
• H-Bond Donor: 1
• Heavy Atom Count: 41
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Monoisotopic Mass: 663.22077
• Rotatable Bond Count: 7
• Topological Polar Surface Area: 35.6 Ų