85834 <common-name>2-(Bromomethyl)-1-fluoro-3-nitrobenzene</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>74779</pubchem-id> <chemical-formula>C7H6BrFNO2</chemical-formula> <weight>234.02</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">2026-04-04T20:56:08Z</created-at> <updated-at type="dateTime">2026-08-24T02:01:59Z</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(CBr)C(F)=CC=C1</moldb-smiles> <moldb-formula>C7H6BrFNO2</moldb-formula> <moldb-inchi>InChI=1/C7H5BrFNO2/c8-4-5-6(9)2-1-3-7(5)10(11)12/h1-3H,4H2</moldb-inchi> <moldb-inchikey>KKSODTKRSQTJFZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">234.024</moldb-average-mass> <moldb-mono-mass type="decimal">233.9565938</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.4</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>CHEM081727</chemdb-id> <dsstox-id>DTXSID60173244</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00046028</susdat-id> <iupac>2-(bromomethyl)-1-fluoro-3-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">1</paper-count> <sync-id>CED0060741</sync-id> <structure-inchikey>KKSODTKRSQTJFZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000800000000000000200000100000000000000000000000002000000000002000000000000000000000000000000000000000000000000000000000000020000000000010001810800000400000000000000000000200000400000000000000000000000000000000000000000081000000000000800200000000000000000000001000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000008000000040000000000000800000001000000000000000002000</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�B������� ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:30:29Z</structure-indexed-at> </compound>