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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-acetyloxy-4-(trifluoromethyl)benzoic acid ChEBI ID CHEBI:94721 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H7F3O4 Net Charge 0 Average Mass 248.156 Monoisotopic Mass 248.02964 InChI InChI=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) InChIKey RMWVZGDJPAKBDE-UHFFFAOYSA-N SMILES CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(=O)O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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 disgren DrugCentral Manual Xrefs Databases 2744 DrugCentral LSM-5797 LINCS View more database links Registry Number Type Source 322-79-2 CAS Registry Number DrugCentral Last Modified 22 February 2017