334966 <common-name>[4-[bis(2-bromoethyl)amino]phenyl] 4-phenylbenzoate</common-name> <description>[4-[bis(2-bromoethyl)amino]phenyl] 4-phenylbenzoate is a chemical compound with the formula C23H21Br2NO2. With an average molecular weight of 503.20 g/mol, [4-[bis(2-bromoethyl)amino]phenyl] 4-phenylbenzoate is a heavy molecule.</description> <cas>22953-45-3</cas> <pubchem-id>89921</pubchem-id> <chemical-formula>C23H21Br2NO2</chemical-formula> <weight>503.2</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">2026-08-30T16:54:31Z</created-at> <updated-at type="dateTime">2026-08-30T16:54:31Z</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=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)N(CCBr)CCBr</moldb-smiles> <moldb-formula>C23H21Br2NO2</moldb-formula> <moldb-inchi>InChI=1S/C23H21Br2NO2/c24-14-16-26(17-15-25)21-10-12-22(13-11-21)28-23(27)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-13H,14-17H2</moldb-inchi> <moldb-inchikey>IUUDHOBDQKMUFS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">500.9939</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.6</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>CHEM330859</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] 4-phenylbenzoate</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" nil="true"/> <sync-id>CED0285442</sync-id> <structure-inchikey>IUUDHOBDQKMUFS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000040000000000000000800000000100000000000000000200000000000000004000000000000000000000000010000000000000000000000000022000000000020000000000100000200808000000000000000010000000000000020004000800000000000000080000000000000000000000000000400808000000000000000800000000100000000000000000000000100000000000000000000084000000000000002000000000000000000000000000000000000000000000000000000000001004000000040000200000000000000000000000000000040000000000400000001000800000000100000000000</structure-fingerprint> 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