293873 <common-name>1-[butoxy(butyl)phosphoryl]oxy-4-nitrobenzene</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>3054231</pubchem-id> <chemical-formula>C14H22NO5P</chemical-formula> <weight>315.3</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">2026-08-28T09:22:47Z</created-at> <updated-at type="dateTime">2026-08-28T09:22:47Z</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>CCCCOP(=O)(CCCC)OC1=CC=C(C=C1)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C14H22NO5P</moldb-formula> <moldb-inchi>InChI=1S/C14H22NO5P/c1-3-5-11-19-21(18,12-6-4-2)20-14-9-7-13(8-10-14)15(16)17/h7-10H,3-6,11-12H2,1-2H3</moldb-inchi> <moldb-inchikey>PCXYZTFOYPFJFD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">315.1235598</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.4</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>CHEM289766</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>1-[butoxy(butyl)phosphoryl]oxy-4-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" nil="true"/> <sync-id>CED0245362</sync-id> <structure-inchikey>PCXYZTFOYPFJFD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40080000000000000800000000000000000000040000080000000000000000000000002000000200000000000000000000000000000000000000002000000000000000000000000010000000000000020000000000100001200000000400040000020000000000200000000000000000000000000000000000000000000000000000040000000000000000000000000000000001000000000000000000220000000000000000000800000080000020080000000008000000000000000000000400000000000000000000000000000000000000000080000000200000000000000420000000000000044000000010000000000001000000010000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`������� ������ ������(�������`�������`�������`�������`�������(������@(������@h�������@h�������@(������@h�������@h������� *��������(������ *���ÿ����������������������������� � ������ � h� �h���h���h���h��� ��(��� ��h�B���������� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:05:39Z</structure-indexed-at> </compound>