chempirical

Iodylbenzene

C6H5IO2CAS 696-33-3236.01 g/mol

Open in Covalent MOL file
IOO
Aryl halide

Properties

Molecular formula
C6H5IO2
Molar mass
236.01 g/mol
Exact mass
235.9334 Da
logP
2.05Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
696-33-3
SMILES
C1=CC=C(C=C1)I(=O)=O
InChIKey
BDOLQESNFGCNSC-UHFFFAOYSA-N
InChI
InChI=1S/C6H5IO2/c8-7(9)6-4-2-1-3-5-6/h1-5H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Iodoxybenzene
  • Benzene, iodyl-
  • Iodyl-benzene
  • Phenyliodane dioxide

Reactions

Work with Iodylbenzene

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

Iodobenzene dichloride932-72-943 % similar Trifluorotoluene98-08-836 % similar (Diacetoxyiodo)benzene3240-34-434 % similar Biphenyl92-52-433 % similar Diphenyl carbonate102-09-032 % similar Phenylphosphonic dichloride824-72-632 % similar para-Quaterphenyl135-70-632 % similar Azulene275-51-432 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook