73654 <common-name>Methyl 2-fluoro-4-nitrobenzoate</common-name> <description>Methyl 2-fluoro-4-nitrobenzoate belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C8H6F1N1O4 and an average molecular weight of 199.14 g/mol.</description> <cas>392-09-6</cas> <pubchem-id>3013872</pubchem-id> <chemical-formula>C8H6F1N1O4</chemical-formula> <weight>199.14</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">2026-04-04T00:13:46Z</created-at> <updated-at type="dateTime">2026-08-24T22:47:24Z</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>COC(=O)C1=C(F)C=C(C=C1)[N+]([O-])=O</moldb-smiles> <moldb-formula>C8H6F1N1O4</moldb-formula> <moldb-inchi>InChI=1S/C8H6FNO4/c1-14-8(11)6-3-2-5(10(12)13)4-7(6)9/h2-4H,1H3</moldb-inchi> <moldb-inchikey>KJCVCRCYCOWPFY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">199.137</moldb-average-mass> <moldb-mono-mass type="decimal">199.028086</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2282443</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>CHEM069547</chemdb-id> <dsstox-id>DTXSID70192441</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00030544</susdat-id> <iupac>methyl 2-fluoro-4-nitrobenzoate</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>Benzoic acids and derivatives</subklass> <paper-count type="integer">7</paper-count> <sync-id>CED0039003</sync-id> <structure-inchikey>KJCVCRCYCOWPFY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000000000000000000040000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000020000110001000000000400000000000011000000240000000100000002000000080000000000000000000000000000040000000000000000000000080000000001000000000000000000020000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000008000000000000000000000200000000000000420000008000000040000000000400800800001000000100000000000000</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">2026-09-19T04:22:19Z</structure-indexed-at> </compound>