18836 <common-name>3,5-Dibromo-4-hydroxybenzoic acid</common-name> <description nil="true"/> <cas>3337-62-0</cas> <pubchem-id>76857</pubchem-id> <chemical-formula>C7H4Br2O3</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">2016-05-22T04:35:13Z</created-at> <updated-at type="dateTime">2026-03-25T19:46:47Z</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(Br)=C(O)C(Br)=C1</moldb-smiles> <moldb-formula>C7H4Br2O3</moldb-formula> <moldb-inchi>InChI=1S/C7H4Br2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)</moldb-inchi> <moldb-inchikey>PHWAJJWKNLWZGJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">295.914</moldb-average-mass> <moldb-mono-mass type="decimal">293.85272</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>69309</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>CHEM017731</chemdb-id> <dsstox-id>DTXSID4041656</dsstox-id> <toxcast-id>41656</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00000325</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>57.53</moldb-polar-surface-area> <moldb-refractivity>50.5407</moldb-refractivity> <moldb-polarizability>19.657293143075908</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>4.103748775021682</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-7.504656725157926</moldb-pka-strongest-basic> <moldb-physiological-charge>-2</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>3.58</moldb-alogps-logp> <moldb-alogps-logs>-2.66</moldb-alogps-logs> <moldb-alogps-solubility>6.44e-01 g/l</moldb-alogps-solubility> </compound>