EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:52700 - ortho-iodylbenzoic acid

ChEBI IDCHEBI:52700
ChEBI Nameortho-iodylbenzoic acid
Stars
ASCII Nameortho-iodylbenzoic acid
DefinitionA benzoic acid compound having an iodyl substituent at the ortho-position.
Last Modified31 March 2023
SubmitterColin Batchelor
DownloadsMolfile
FormulaC7H5IO4
Net Charge0
Average Mass280.017
Monoisotopic Mass279.92326
SMILESO=C(O)c1ccccc1I(=O)=O
InChIInChI=1S/C7H5IO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)
InChIKeyFIYYMXYOBLWYQO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
ortho-iodylbenzoic acid (CHEBI:52700) is a benzoic acids (CHEBI:22723)
ortho-iodylbenzoic acid (CHEBI:52700) is a organoiodine compound (CHEBI:37142)
ortho-iodylbenzoic acid (CHEBI:52700) is tautomer of 1-hydroxy-1,3-dioxobenziodoxole (CHEBI:52701)
Incoming Relation(s)
1-hydroxy-1,3-dioxobenziodoxole (CHEBI:52701) is tautomer of ortho-iodylbenzoic acid (CHEBI:52700)
IUPAC Name 
2-iodylbenzoic acid
Synonyms  Source
o-iodylbenzoic acidSUBMITTER
2-iodylbenzoic acidSUBMITTER
2-iodoxybenzoic acidChemIDplus
o-iodoxybenzoic acidChEBI
ácido 2-yodoxibenzoicoChEBI
o-IodoxybenzoesäureChEBI
Registry NumbersSources
Beilstein:2445017Beilstein
CAS:64297-64-9ChemIDplus
Citations