97235 <common-name>2,3-Dibromo-3-(4-nitrophenyl)propiophenone</common-name> <description>2,3-Dibromo-3-(4-nitrophenyl)propiophenone belongs to the chalcones and dihydrochalcones, a subclass of linear 1,3-diarylpropanoids within the organic compounds. This compound has the chemical formula C15H12Br2NO3 and an average molecular weight of 413.06 g/mol. It is further classified under the superclass of phenylpropanoids and polyketides.</description> <cas>38895-96-4</cas> <pubchem-id>101168</pubchem-id> <chemical-formula>C15H12Br2NO3</chemical-formula> <weight>413.06</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">2026-04-05T05:10:24Z</created-at> <updated-at type="dateTime">2026-08-19T08:48:42Z</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>[O-][N+](=O)C1=CC=C(C=C1)C(Br)C(Br)C(=O)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C15H12Br2NO3</moldb-formula> <moldb-inchi>InChI=1/C15H11Br2NO3/c16-13(10-6-8-12(9-7-10)18(20)21)14(17)15(19)11-4-2-1-3-5-11/h1-9,13-14H</moldb-inchi> <moldb-inchikey>RECMEXFQKOOMMK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">413.065</moldb-average-mass> <moldb-mono-mass type="decimal">411.9183924</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.5</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>CHEM093128</chemdb-id> <dsstox-id>DTXSID10885764</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00059516</susdat-id> <iupac>2,3-dibromo-3-(4-nitrophenyl)-1-phenylpropan-1-one</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>Linear 1,3-diarylpropanoids</klass> <subklass>Chalcones and dihydrochalcones</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0171337</sync-id> <structure-inchikey>RECMEXFQKOOMMK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000000000000000000000200000000000001000000000000000000000000000000000024000000000000000000000000000000000000000000000000000000000000000020000000000000001000880000400040000000010000000240000000000000000000000000000000000000000000000000000000000000800000000000000000000000001100000000000002000020400000000000000000000400084000000000000000000000000000000000000000040000000000000000000000004000000000000000000000000200000000000000420000000004000040000000000400000000001000004000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAVAAAAFgAAAIABCCAqAAAA/wMBByAqAAAA AQMECAAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAME BkBoAAAAAwMBBkBoAAAAAwMBBgBgAAAAAwEjACAAAAABBgBgAAAAAwEjACAA AAABBgAoAAAAAwQIACgAAAADAgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMB BkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBCwABIAECKAIBAyADBGgMBAVo DAUGaAwGB2gMBwhoDAYJAAkKAAkLAAsMAAsNAA0OKAINDyAPEGgMEBFoDBES aAwSE2gMExRoDAgDaAwUD2gMQgIAAAAGAwgHBgUEBhAREhMUDxcEAAAAAAAA ABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:37:28Z</structure-indexed-at> </compound>