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Diphenyliodonium Iodide

CAT: 0127-OR1012988-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1012988-01Size:1 g
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CAS Number
2217-79-0
MDL Number
MFCD00011910
Purity
99%
Smiles
C1([I+]C2=CC=CC=C2)=CC=CC=C1.[I-]

Chemical Information

Diphenyliodonium iodide
CAS Number2217-79-0
PubChem CID102228
IUPAC Namediphenyliodanium iodide
Molecular FormulaC12H10I2
Molecular Weight408.02
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity116
SMILES
C1=CC=C(C=C1)[I+]C2=CC=CC=C2.[I-]
InChI
InChI=1S/C12H10I.HI/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10H;1H/q+1;/p-1
InChIKey
WQIRVUAXANLUPO-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Diphenyliodonium iodide
CAS: 2217-79-0
CID: 102228
Formula: C12H10I2
MW: 408.02
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight408.02
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass407.88720
Monoisotopic Mass407.88720
Topological Polar Surface Area0 Ų
Heavy Atom Count14
Formal Charge0
Complexity116
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes