16582 <common-name>Benzene, 1-methoxy-2-nitro-</common-name> <description>Benzene, 1-methoxy-2-nitro- (C7H7NO3) is an organic compound with an average molecular weight of 153.14 g/mol. Benzene, 1-methoxy-2-nitro- belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This substance is categorized under the superclass of benzenoids. The compound has been identified in or released from five recorded sources, which include drinking water and water supply (specifically drinking water) as well as electrical and electronic equipment. These equipment sources encompass electrodes, fixed capacitors and their manufacture, hybrid capacitors, and conductors or conductive bodies characterized by the conductive materials. The recorded route of exposure for this compound is oral.</description> <cas>91-23-6</cas> <pubchem-id>7048</pubchem-id> <chemical-formula>C7H7NO3</chemical-formula> <weight>153.14</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">2016-05-19T04:51:55Z</created-at> <updated-at type="dateTime">2026-08-24T07:36:12Z</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>COC1=CC=CC=C1N(=O)=O</moldb-smiles> <moldb-formula>C7H7NO3</moldb-formula> <moldb-inchi>InChI=1S/C7H7NO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3</moldb-inchi> <moldb-inchikey>CFBYEGUGFPZCNF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">153.137</moldb-average-mass> <moldb-mono-mass type="decimal">153.042593089</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>6781</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>CHEM015477</chemdb-id> <dsstox-id>DTXSID3020962</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00002611</susdat-id> <iupac>1-methoxy-2-nitrobenzene</iupac> <moldb-polar-surface-area>55.05</moldb-polar-surface-area> <moldb-refractivity>39.8459</moldb-refractivity> <moldb-polarizability>14.022305037465829</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-4.940452781371693</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>2.02</moldb-alogps-logp> <moldb-alogps-logs>-2.26</moldb-alogps-logs> <moldb-alogps-solubility>8.43e-01 g/l</moldb-alogps-solubility> <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>CED0165111</sync-id> <structure-inchikey>CFBYEGUGFPZCNF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000400000000000000000000020002000000000000000000000000000000000000000000000000000000000000000000000000020000000000100001800000000400000000000000000000240000000000000000000000000000000000000000000000000000040000000800000000000000000000000001100000000000000000000000000000000000000000000080000002000000000000000000000000020000080000000000000000000000000000000000000000000000000000200000000000000000000000000000040000000000000000000001020000000000000000000</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">2026-09-19T04:05:52Z</structure-indexed-at> </compound>