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CHEBI:94721 - 2-acetyloxy-4-(trifluoromethyl)benzoic acid

ChEBI IDCHEBI:94721
ChEBI Name2-acetyloxy-4-(trifluoromethyl)benzoic acid
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC10H7F3O4
Net Charge0
Average Mass248.156
Monoisotopic Mass248.02964
SMILESCC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C10H7F3O4/c1-5(14)17-8-4-6(10(11,12)13)2-3-7(8)9(15)16/h2-4H,1H3,(H,15,16)
InChIKeyRMWVZGDJPAKBDE-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-acetyloxy-4-(trifluoromethyl)benzoic acid (CHEBI:94721) is a benzoic acids (CHEBI:22723)
2-acetyloxy-4-(trifluoromethyl)benzoic acid (CHEBI:94721) is a carboxylic ester (CHEBI:33308)
2-acetyloxy-4-(trifluoromethyl)benzoic acid (CHEBI:94721) is a salicylates (CHEBI:26596)
Synonym  Source
disgrenDrugCentral
Manual XrefsDatabases
LSM-5797LINCS
2744DrugCentral
Registry NumbersSources
CAS:322-79-2DrugCentral