310903 <common-name>[4-[bis(2-bromoethyl)amino]phenyl] 3-(trifluoromethyl)benzoate</common-name> <description>[4-[bis(2-bromoethyl)amino]phenyl] 3-(trifluoromethyl)benzoate is a chemical compound with the formula C18H16Br2F3NO2. It has an average molecular weight of 495.10 g/mol.</description> <cas>22953-41-9</cas> <pubchem-id>89917</pubchem-id> <chemical-formula>C18H16Br2F3NO2</chemical-formula> <weight>495.1</weight> <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">2026-08-29T06:37:28Z</created-at> <updated-at type="dateTime">2026-08-29T06:37:28Z</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>C1=CC(=CC(=C1)C(F)(F)F)C(=O)OC2=CC=C(C=C2)N(CCBr)CCBr</moldb-smiles> <moldb-formula>C18H16Br2F3NO2</moldb-formula> <moldb-inchi>InChI=1S/C18H16Br2F3NO2/c19-8-10-24(11-9-20)15-4-6-16(7-5-15)26-17(25)13-2-1-3-14(12-13)18(21,22)23/h1-7,12H,8-11H2</moldb-inchi> <moldb-inchikey>KEUDYNSIGHFSQH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">492.94999</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.9</logp> <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>CHEM306796</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>[4-[bis(2-bromoethyl)amino]phenyl] 3-(trifluoromethyl)benzoate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Phenylpropanoids and polyketides</superklass> <klass>Depsides and depsidones</klass> <subklass nil="true"/> <paper-count type="integer">30</paper-count> <sync-id>CED0026875</sync-id> <structure-inchikey>KEUDYNSIGHFSQH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000002000000040000000000000000800000000100000000000000001200000000000000000000000000000000000040000010000000000000000000000000020000000000020000000000100000200800000000000000000014000000000000020104000000000000000000080000000000000000001000000000400808000000000000000000000000000000000000000080000000100000000000000000000084000000040000002040000000000000000200000000000000000000000000000000000000001000000000040000200000000000000000000000000000040000000000400800001000000004000100040000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAaAAAAGwAAAIABBkBoAAAAAwMBBkBoAAAA AwMBBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQYAIAAAAAQJ ACAAAAABCQAgAAAAAQkAIAAAAAEGACgAAAADBAgAKAAAAAMCCAAoAAAAAwIG QCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBo AAAAAwMBBwAoAAAAAwMGAGAAAAACAgYAYAAAAAICIwAgAAAAAQYAYAAAAAIC BgBgAAAAAgIjACAAAAABCwABaAwBAmgMAgNoDAMEaAwEBWgMBAYABgcABggA BgkAAgogCgsoAgoMIAwNIA0OaAwOD2gMDxBoDBARaAwREmgMEBMgExQAFBUA FRYAExcAFxgAGBkABQBoDBINaAxCAgAAAAYABQQDAgEGDg8QERINFwQAAAAA AAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:18:10Z</structure-indexed-at> </compound>