chempirical

Iodosobenzene

C6H5IOCAS 536-80-1220.01 g/mol

Open in Covalent MOL file
OI
Aryl halide

Properties

Molecular formula
C6H5IO
Molar mass
220.01 g/mol
Exact mass
219.9385 Da
Melting point
210 °C (decomposes)
logP
2.17Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
536-80-1
SMILES
O=Ic1ccccc1
InChIKey
JYJVVHFRSFVEJM-UHFFFAOYSA-N
InChI
InChI=1S/C6H5IO/c8-7-6-4-2-1-3-5-6/h1-5H

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Names and synonyms

4 names
  • Benzene, iodosyl-
  • Benzene, iodoso-
  • Iodosylbenzene
  • NSC 406477

Reactions

Work with Iodosobenzene

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

Chlorobenzene108-90-735 % similar 2-Iodosylbenzoic acid304-91-633 % similar M-Terphenyl92-06-833 % similar Biphenyl92-52-433 % similar Phenyl isocyanate103-71-932 % similar Dibenzyl sulfoxide621-08-932 % similar Para-quaterphenyl135-70-632 % similar 1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-Sexiphenyl4499-83-632 % similar

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

Same formula

2-Iodophenol533-58-4 4-Iodophenol540-38-5 3-Iodophenol626-02-8

Elsewhere

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