2-Iodosylbenzoic acid

C7H5IO3CAS 304-91-6264.02 g/mol

Open in Covalent MOL file
OIOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H5IO3
Molar mass
264.02 g/mol
Exact mass
263.9283 Da
Melting point
242 °C (decomposes)
logP
1.87Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
304-91-6
SMILES
O=Ic1ccccc1C(=O)O
InChIKey
IFPHDUVGLXEIOQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H5IO3/c9-7(10)5-3-1-2-4-6(5)8-11/h1-4H,(H,9,10)

Weigh it out

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

Names and synonyms

7 names
  • Benzoic acid, 2-iodosyl-
  • Benzoic acid, o-iodoso-
  • o-Iodosobenzoic acid
  • 3H-1,2-Benziodoxol-1-ium, 3-oxo-, hydroxide
  • o-Iodosylbenzoic acid
  • 2-Iodosobenzoic acid
  • NSC 34548

Work with 2-Iodosylbenzoic 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 acid88-99-362 % similar Diphenic acid482-05-355 % similar Ammonium phthalate523-24-055 % similar Hemimellitic acid569-51-755 % similar 2-Chlorobenzoic acid118-91-255 % similar 2-Hydroxy-1,3-benzenedicarboxylic acid606-19-953 % similar 1-Naphthoic acid86-55-553 % similar Salicylic acid69-72-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Iodosalicylic acid119-30-2 3-Hydroxy-4-iodobenzoic acid58123-77-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook