chempirical

2-Iodoxybenzoic acid

C7H5IO4CAS 61717-82-6280.02 g/mol

Open in Covalent MOL file
OOIOHO
Aryl halide

Properties

Molecular formula
C7H5IO4
Molar mass
280.02 g/mol
Exact mass
279.9233 Da
Melting point
232 °C (decomposes)
logP
1.24Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

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
61717-82-6
SMILES
O=C1OI(=O)(O)c2ccccc21
InChIKey
CQMJEZQEVXQEJB-UHFFFAOYSA-N
InChI
InChI=1S/C7H5IO4/c9-7-5-3-1-2-4-6(5)8(10,11)12-7/h1-4H,(H,10,11)

Weigh it out

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

Names and synonyms

9 names
  • 1,2-Benziodoxol-3(1H)-one, 1-hydroxy-, 1-oxide
  • 1-Hydroxy-1,2-benziodoxol-3(1H)-one 1-oxide
  • IBX
  • NSC 366248
  • 1-Hydroxy-1,3-dioxo-3H-benz[d][1,2]iodoxol
  • 1-Hydroxy-3H-benz[d][1,2]iodoxol-1,3-dione
  • SIBX
  • 1-Hydroxyl-2-benziodoxol-3(1H)-one 1-oxide
  • 1-Hydroxy-1,2-benziodoxole-3(1H)-one 1-oxide

Work with 2-Iodoxybenzoic acid

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

Phthalic anhydride85-44-941 % similar Dimethyl phthalate131-11-337 % similar Diphenyl phthalate84-62-836 % similar Methyl salicylate119-36-835 % similar Monoperoxyphthalic acid2311-91-335 % similar 3-Hydroxyphthalic anhydride37418-88-535 % similar Diisopropyl phthalate605-45-834 % similar Diethyl phthalate84-66-234 % similar

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

Elsewhere

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