14359 <common-name>Benzoic acid, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-</common-name> <description nil="true"/> <cas>63734-62-3</cas> <pubchem-id>91685</pubchem-id> <chemical-formula>C14H8ClF3O3</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-19T04:10:38Z</created-at> <updated-at type="dateTime">2026-03-26T21:41:42Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>OC(=O)C1=CC(OC2=C(Cl)C=C(C=C2)C(F)(F)F)=CC=C1</moldb-smiles> <moldb-formula>C14H8ClF3O3</moldb-formula> <moldb-inchi>InChI=1S/C14H8ClF3O3/c15-11-7-9(14(16,17)18)4-5-12(11)21-10-3-1-2-8(6-10)13(19)20/h1-7H,(H,19,20)</moldb-inchi> <moldb-inchikey>ONKRUAQFUNKYAX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">316.66</moldb-average-mass> <moldb-mono-mass type="decimal">316.0114063</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>82788</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM013254</chemdb-id> <dsstox-id>DTXSID4028121</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>chemicalize.org</stoff-ident-origin> <stoff-ident-id>SI00005110</stoff-ident-id> <susdat-id>NS00003938</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>46.53</moldb-polar-surface-area> <moldb-refractivity>70.33350000000002</moldb-refractivity> <moldb-polarizability>26.12551528457364</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>3.823153652856208</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-3.7303926152504006</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>4.34</moldb-alogps-logp> <moldb-alogps-logs>-4.72</moldb-alogps-logs> <moldb-alogps-solubility>5.97e-03 g/l</moldb-alogps-solubility> </compound>