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CHEBI:166852 - 3-iodobenzoic acid

ChEBI IDCHEBI:166852
ChEBI Name3-iodobenzoic acid
Stars
DefinitionAn iodobenzoic acid with a single iodo substituent placed at the 3-position.
Last Modified16 November 2020
Submittereladnoor
DownloadsMolfile
FormulaC7H5IO2
Net Charge0
Average Mass248.019
Monoisotopic Mass247.93343
SMILESO=C(O)c1cccc(I)c1
InChIInChI=1S/C7H5IO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKeyKVBWBCRPWVKFQT-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)
3-iodobenzoic acid (CHEBI:166852) is a iodobenzoic acid (CHEBI:59121)
IUPAC Name 
3-iodobenzoic acid
Synonyms  Source
m-iodobenzoic acidChemIDplus
benzoic acid, 3-iodo-ChemIDplus
Registry NumbersSources
Reaxys:971088Reaxys
CAS:618-51-9ChemIDplus
CAS:618-51-9NIST Chemistry WebBook
Citations