Home Carboxys Iridium,bis[3,5-difluoro-2-(2-pyridinyl-kN)phenyl-kC](2-pyridinecarboxylato-kN1,kO2)-

Iridium,bis[3,5-difluoro-2-(2-pyridinyl-kN)phenyl-kC](2-pyridinecarboxylato-kN1,kO2)-

CAS No.:
376367-93-0
Catalog Number:
AG00I7EV
Molecular Formula:
C28H16F4IrN3O2
Molecular Weight:
694.6562
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Product Description
Catalog Number:
AG00I7EV
Chemical Name:
Iridium,bis[3,5-difluoro-2-(2-pyridinyl-kN)phenyl-kC](2-pyridinecarboxylato-kN1,kO2)-
CAS Number:
376367-93-0
Molecular Formula:
C28H16F4IrN3O2
Molecular Weight:
694.6562
MDL Number:
MFCD09038721
IUPAC Name:
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;pyridine-2-carboxylic acid
InChI:
InChI=1S/2C11H6F2N.C6H5NO2.Ir/c2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;8-6(9)5-3-1-2-4-7-5;/h2*1-4,6-7H;1-4H,(H,8,9);/q2*-1;;
InChI Key:
ZNXYMQNTSZXWLG-UHFFFAOYSA-N
SMILES:
[O-]C(=O)c1ccccn1.Fc1cc([Ir+]c2cc(F)cc(c2c2ccccn2)F)c(c(c1)F)c1ccccn1
Properties
Complexity:
927  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
696.089g/mol
Formal Charge:
-2  
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
695.674g/mol
Monoisotopic Mass:
696.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties