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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:2,5-bis(trifluoromethyl)benzoic acid
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Accession:CHEBI:60697 term browser browse the term
Definition:A benzoic acid carrying trifluoromethyl substituents at the 2- and 5-positions.
Synonyms:related_synonym: 2,5-bis(trifluoroformyl)benzoic acid;   Formula=C9H4F6O2;   InChI=1S/C9H4F6O2/c10-8(11,12)4-1-2-6(9(13,14)15)5(3-4)7(16)17/h1-3H,(H,16,17);   InChIKey=PINBPLCVZSKLTF-UHFFFAOYSA-N;   SMILES=OC(=O)c1cc(ccc1C(F)(F)F)C(F)(F)F
 xref: Reaxys:1989837


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19893
    role 19863
      application 19707
        refrigerant 18301
          tetrafluoromethane 6776
            trifluoromethyl group 6776
              (trifluoromethyl)benzenes 6776
                2,5-bis(trifluoromethyl)benzoic acid 0
                  2,5-bis(trifluoromethyl)benzoyl group 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19893
    subatomic particle 19891
      composite particle 19891
        hadron 19891
          baryon 19891
            nucleon 19891
              atomic nucleus 19891
                atom 19891
                  main group element atom 19830
                    main group molecular entity 19830
                      s-block molecular entity 19664
                        hydrogen molecular entity 19646
                          hydrides 19154
                            organic hydride 18705
                              organic fundamental parent 18705
                                hydrocarbon 18451
                                  halohydrocarbon 15874
                                    haloalkane 12914
                                      fluoroalkane 9231
                                        fluoromethanes 6776
                                          tetrafluoromethane 6776
                                            trifluoromethyl group 6776
                                              (trifluoromethyl)benzenes 6776
                                                2,5-bis(trifluoromethyl)benzoic acid 0
                                                  2,5-bis(trifluoromethyl)benzoyl group 0
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