chempirical

Diphenyliodonium nitrate

C12H10INO3CAS 722-56-5343.12 g/mol

Open in Covalent MOL file
ON+O−O−I+
Aryl halideNitro

Properties

Molecular formula
C12H10INO3
Molar mass
343.12 g/mol
Exact mass
342.9705 Da
logP
-0.42Crippen estimate
Polar surface area
66.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
722-56-5
SMILES
O=[N+]([O-])[O-].c1ccc([I+]c2ccccc2)cc1
InChIKey
CQZCVYWWRJDZBO-UHFFFAOYSA-N
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

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Names and synonyms

3 names
  • Iodonium, diphenyl-, nitrate (1:1)
  • Iodonium, diphenyl-, nitrate
  • NSC 90597

Work with Diphenyliodonium nitrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diphenyliodonium chloride1483-72-350 % similar Diphenyliodonium bromide1483-73-450 % similar Diphenyliodonium hexafluorophosphate58109-40-344 % similar Diphenyliodonium triflate66003-76-741 % similar Lucigenin2315-97-140 % similar Phenylmercuric nitrate55-68-540 % similar Nitrobenzene98-95-339 % similar Barium nitrate10022-31-838 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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