45170 <common-name>2-(3,4-dibromo-5-methylphenoxymethyl)oxirane</common-name> <description nil="true"/> <cas>30171-80-3</cas> <pubchem-id>3035339</pubchem-id> <chemical-formula>C10H10Br2O2</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">2016-06-03T11:38:58Z</created-at> <updated-at type="dateTime">2026-04-04T23:21:23Z</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>CC1=CC(OCC2CO2)=CC(Br)=C1Br</moldb-smiles> <moldb-formula>C10H10Br2O2</moldb-formula> <moldb-inchi>InChI=1S/C10H10Br2O2/c1-6-2-7(3-9(11)10(6)12)13-4-8-5-14-8/h2-3,8H,4-5H2,1H3</moldb-inchi> <moldb-inchikey>MBLKNPBVKSCSBH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">321.996</moldb-average-mass> <moldb-mono-mass type="decimal">319.904756</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM044065</chemdb-id> <dsstox-id>DTXSID90865529</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>chemicalize.org</stoff-ident-origin> <stoff-ident-id>SI00004917</stoff-ident-id> <susdat-id>NS00049670</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>21.759999999999998</moldb-polar-surface-area> <moldb-refractivity>61.55270000000001</moldb-refractivity> <moldb-polarizability>24.817777131734225</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-4.110738632006218</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>3.86</moldb-alogps-logp> <moldb-alogps-logs>-4.64</moldb-alogps-logs> <moldb-alogps-solubility>7.34e-03 g/l</moldb-alogps-solubility> </compound>