68567 <common-name>Benzene, 1,4-diethoxy-2-nitro-</common-name> <description>Benzene, 1,4-diethoxy-2-nitro- belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C10H13N1O4 and an average molecular weight of 211.22 g/mol.</description> <cas>119-23-3</cas> <pubchem-id>67064</pubchem-id> <chemical-formula>C10H13N1O4</chemical-formula> <weight>211.21</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">2026-04-03T12:42:42Z</created-at> <updated-at type="dateTime">2026-08-18T00:37:39Z</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>CCOC1=CC(=C(OCC)C=C1)[N+]([O-])=O</moldb-smiles> <moldb-formula>C10H13N1O4</moldb-formula> <moldb-inchi>InChI=1S/C10H13NO4/c1-3-14-8-5-6-10(15-4-2)9(7-8)11(12)13/h5-7H,3-4H2,1-2H3</moldb-inchi> <moldb-inchikey>AUCRWWWSFGZHBK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">211.217</moldb-average-mass> <moldb-mono-mass type="decimal">211.084458</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>60415</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>CHEM064460</chemdb-id> <dsstox-id>DTXSID7059484</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00023845</susdat-id> <iupac>1,4-diethoxy-2-nitrobenzene</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Nitrobenzenes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0172995</sync-id> <structure-inchikey>AUCRWWWSFGZHBK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400800200000000000000000000000000000000000400000000000002000000200000002000000000000000004000000000000000000000000000000000000000000000000000000020000000000100001a00000000400000000000000000000200000000108000000000000000000000000000000000000000000040000000000000000000000000000000001000000000020000000400000000000000000000200000080000000000000000080000000000040000000000000000000000000000000000000000000000000000000000000200000000000000000000000000000040000000000000000000001020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������(������@(������@h�������@(������@(�������(�������`�������`������@h�������@h������� *������� *���ÿ����(�������������� ��h���h���h��� ���� �� h� �h��� � ��(���h�B������� �������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:18:27Z</structure-indexed-at> </compound>