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Diphenyliodonium nitrate

CAT: 0024-sc-255116Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-255116Size:25 g
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CAS Number
722-56-5

Chemical Information

Iodonium, diphenyl-, nitrate (1:1)
CAS Number722-56-5
PubChem CID12876
IUPAC Namediphenyliodanium nitrate
Molecular FormulaC12H10INO3
Molecular Weight343.12
Topological Polar Surface Area62.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity135
SMILES
C1=CC=C(C=C1)[I+]C2=CC=CC=C2.[N+](=O)([O-])[O-]
InChI
InChI=1S/C12H10I.NO3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3)4/h1-10H;/q+1;-1
InChIKey
CQZCVYWWRJDZBO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Iodonium, diphenyl-, nitrate (1:1)
CAS: 722-56-5
CID: 12876
Formula: C12H10INO3
MW: 343.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight343.12
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass342.97054
Monoisotopic Mass342.97054
Topological Polar Surface Area62.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity135
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