63673 <common-name>Benzene, 1-nitro-2-phenoxy-</common-name> <description>Benzene, 1-nitro-2-phenoxy- belongs to the diphenylethers, a subclass of benzene and substituted derivatives within the organic compounds. It is a member of the benzenoids superclass with the formula C12H9N1O3 and an average molecular weight of 215.21 g/mol.</description> <cas>08-12-16</cas> <pubchem-id>16661</pubchem-id> <chemical-formula>C12H9N1O3</chemical-formula> <weight>215.2</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">2026-04-03T01:37:37Z</created-at> <updated-at type="dateTime">2026-08-18T22:14:14Z</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=C(OC2=CC=CC=C2)C=CC=C1</moldb-smiles> <moldb-formula>C12H9N1O3</moldb-formula> <moldb-inchi>InChI=1S/C12H9NO3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H</moldb-inchi> <moldb-inchikey>VNHGETRQQSYUGZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">215.208</moldb-average-mass> <moldb-mono-mass type="decimal">215.058243</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>15798</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>CHEM059566</chemdb-id> <dsstox-id>DTXSID1062259</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00015777</susdat-id> <iupac>1-nitro-2-phenoxybenzene</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>Diphenylethers</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0159371</sync-id> <structure-inchikey>VNHGETRQQSYUGZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000000000000000000000800000040000000000080000000000000000000200020002000000004000000000000000000000000000000000000000000200000000000000000000020000000000100001800000000400000000000000000000200000000000000000000000000000000000000000000000000000000000000800000000000000000000000001100000000000000000000000000000000000000000000080000002000000000000000000000000000000000000000000000000000400000000000000000000000000000000200000000000000000000000000000040000000000000000000001020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€�� *���ÿ��� *��������(������@(������@(�������(������@(������@h�������@h�������@h�������@h�������@h�������@h�������@h�������@h�������@h��������� ��(��� ��h��� �� ��h���h�� h� h� �h���h�� h� �h���h���h���h�B�������� ����� ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:16:23Z</structure-indexed-at> </compound>