Cas no 14970-06-0 (Bromocarbonylbis(triphenylphosphine)iridium)

Bromocarbonylbis(triphenylphosphine)iridium structure
14970-06-0 structure
Product Name:Bromocarbonylbis(triphenylphosphine)iridium
CAS No:14970-06-0
MF:C37H30BrIrOP2
MW:824.70202589035
CID:162605
Update Time:2023-08-03

Bromocarbonylbis(triphenylphosphine)iridium Chemical and Physical Properties

Names and Identifiers

    • Iridium,bromocarbonylbis(triphenylphosphine)-
    • Bromocarbonylbis(triphenylphosphine)iridium
    • bromide
    • carbon monoxide
    • iridium
    • triphenylphosphane
    • Inchi: 1S/2C18H15P.CO.BrH.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h2*1-15H;;1H;/p-1
    • InChI Key: PWBQDCPXRPPQQG-UHFFFAOYSA-M
    • SMILES: [Ir].[Br-].P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[O+]#[C-]

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 6
  • Complexity: 214
  • Topological Polar Surface Area: 1
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