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CHEBI:19577 - 2-fluorobenzoic acid

ChEBI IDCHEBI:19577
ChEBI Name2-fluorobenzoic acid
Stars
DefinitionA 2-halobenzoic acid that is benzoic acid carrying a fluoro substituent at position 2.
Last Modified28 July 2014
DownloadsMolfile
FormulaC7H5FO2
Net Charge0
Average Mass140.113
Monoisotopic Mass140.02736
SMILESO=C(O)c1ccccc1F
InChIInChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
InChIKeyNSTREUWFTAOOKS-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)
2-fluorobenzoic acid (CHEBI:19577) is a 2-halobenzoic acid (CHEBI:70862)
2-fluorobenzoic acid (CHEBI:19577) is a fluorobenzoic acid (CHEBI:24071)
2-fluorobenzoic acid (CHEBI:19577) is conjugate acid of 2-fluorobenzoate (CHEBI:27839)
Incoming Relation(s)
2-fluorobenzoyl-CoA (CHEBI:27490) has functional parent 2-fluorobenzoic acid (CHEBI:19577)
2-fluorobenzoate (CHEBI:27839) is conjugate base of 2-fluorobenzoic acid (CHEBI:19577)
IUPAC Name 
2-fluorobenzoic acid
Synonyms  Source
2-Fluorobenzoic acidKEGG COMPOUND
o-Fluorobenzoic acidChemIDplus
ortho-Fluorobenzoic acidNIST Chemistry WebBook
Manual XrefsDatabases
C02359KEGG COMPOUND
Registry NumbersSources
Reaxys:971265Reaxys
CAS:445-29-4ChemIDplus
CAS:445-29-4NIST Chemistry WebBook
CAS:445-29-4KEGG COMPOUND
Citations