360892 <common-name>(3-bromophenyl)-trifluoroboranuide</common-name> <description>(3-bromophenyl)-trifluoroboranuide is a chemical compound with the formula C6H4BBrF3-. It has an average molecular weight of 223.81 g/mol.</description> <cas nil="true"/> <pubchem-id>17748109</pubchem-id> <chemical-formula>C6H4BBrF3-</chemical-formula> <weight>223.81</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">2026-09-01T09:31:44Z</created-at> <updated-at type="dateTime">2026-09-01T09:31:44Z</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>[B-](C1=CC(=CC=C1)Br)(F)(F)F</moldb-smiles> <moldb-formula>C6H4BBrF3-</moldb-formula> <moldb-inchi>InChI=1S/C6H4BBrF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H/q-1</moldb-inchi> <moldb-inchikey>WZDPJQACCKGYNB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">222.95415</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM356785</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>(3-bromophenyl)-trifluoroboranuide</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>Halobenzenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0311041</sync-id> <structure-inchikey>WZDPJQACCKGYNB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000004000000000000000000000000000000000000000000000000000000000000808000000200000000000000000000000000100000000400200000000000000000000000000001000000000000800000000000000000000000000000000000000000000000000000040000000000000000080000000000000000000000000000000000000000000020000000000000000100000000000001000000000000000200000000000000000000000000000040000000000000800000000000000100000020000000</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�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:58:18Z</structure-indexed-at> </compound>