60596 <common-name>Benzene, 1,1'-(1,2-ethanediyl)bis[4-nitro-</common-name> <description>Benzene, 1,1'-(1,2-ethanediyl)bis[4-nitro- belongs to the stilbenes, a class of phenylpropanoids and polyketides within the organic compounds. It has the chemical formula C14H12N2O4 and an average molecular weight of 272.26 g/mol.</description> <cas>736-30-1</cas> <pubchem-id>69776</pubchem-id> <chemical-formula>C14H12N2O4</chemical-formula> <weight>272.26</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">2026-03-26T21:31:58Z</created-at> <updated-at type="dateTime">2026-08-19T04:45:20Z</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(CCC2=CC=C(C=C2)[N+]([O-])=O)C=C1</moldb-smiles> <moldb-formula>C14H12N2O4</moldb-formula> <moldb-inchi>InChI=1S/C14H12N2O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h3-10H,1-2H2</moldb-inchi> <moldb-inchikey>BSNKHEKTRWNC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">272.26</moldb-average-mass> <moldb-mono-mass type="decimal">272.079707</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>62975</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>CHEM056489</chemdb-id> <dsstox-id>DTXSID2061066</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00003674</susdat-id> <iupac>1-nitro-4-[2-(4-nitrophenyl)ethyl]benzene</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>Stilbenes</klass> <subklass nil="true"/> <paper-count type="integer">56</paper-count> <sync-id>CED0022693</sync-id> <structure-inchikey>BSNKHEKTRWNNAC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000001000000000000000000000000000000000000020000000000000001000000000400040000000000000000200000000000000000000000000000000000000000000000000040000000000000000000000000000000000001000000000001000000020000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000220000000000000420000000000000040000000000000000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAUAAAAFQAAAIABCCAqAAAA/wMBByAqAAAA AQMECAAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAME BgBgAAAAAgIGAGAAAAACAgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAo AAAAAwQGQGgAAAADAwEGQGgAAAADAwEHICoAAAABAwQIICoAAAD/AwEIACgA AAADAgZAaAAAAAMDAQZAaAAAAAMDAQsAASABAigCAQMgAwRoDAQFaAwFBmgM BgcABwgACAkACQpoDAoLaAwLDGgMDA1oDA0OaAwMDyAPECAPESgCBhJoDBIT aAwTA2gMDgloDEICAAAABgMTEgYFBAYKCwwNDgkXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:14:21Z</structure-indexed-at> </compound>