315648 <common-name>3-[4-[[2-bromo-4-nitro-6-(trifluoromethyl)phenyl]diazenyl]-n-(2-cyanoethyl)anilino]propanenitrile</common-name> <description>3-[4-[[2-bromo-4-nitro-6-(trifluoromethyl)phenyl]diazenyl]-n-(2-cyanoethyl)anilino]propanenitrile is a chemical compound with the formula C19H14BrF3N6O2. It has an average molecular weight of 495.30 g/mol.</description> <cas>246871-16-9</cas> <pubchem-id>11340904</pubchem-id> <chemical-formula>C19H14BrF3N6O2</chemical-formula> <weight>495.3</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">2026-08-29T13:04:43Z</created-at> <updated-at type="dateTime">2026-08-29T13:04:43Z</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>C1=CC(=CC=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])C(F)(F)F)N(CCC#N)CCC#N</moldb-smiles> <moldb-formula>C19H14BrF3N6O2</moldb-formula> <moldb-inchi>InChI=1S/C19H14BrF3N6O2/c20-17-12-15(29(30)31)11-16(19(21,22)23)18(17)27-26-13-3-5-14(6-4-13)28(9-1-7-24)10-2-8-25/h3-6,11-12H,1-2,9-10H2</moldb-inchi> <moldb-inchikey>SNZIXXSVRWHJJU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">494.03137</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.6</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>CHEM311541</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-[4-[[2-bromo-4-nitro-6-(trifluoromethyl)phenyl]diazenyl]-n-(2-cyanoethyl)anilino]propanenitrile</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>Organoheterocyclic compounds</superklass> <klass>Azobenzenes</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0266504</sync-id> <structure-inchikey>SNZIXXSVRWHJJU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>804000002000000000000000000000200000002008000200000000000000000000000000000000000004100000000000000000000000000000000000000000000020002000000020000020000000001004800000400000200200004000004200000000104000000000001000000080000000000000000000000000000400408000000000000000000000001000000000000000000020000000000000000000000000088800000000000000048000000000000000000000000000000100000000000100000000440081000000000000000200000000000000408000000002000040200000000000800001001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ�������������������� ���€��@h�������@h�������@(������@h�������@h�������@(�������(�������(������@(������@(������@h�������@(������@h�������@(�����#� ����� *��������(������ *���ÿ���� ���� � ���� � ���� � ������(�������`�������`�������(�������(�������`�������`�������(�������(��������h���h���h���h���h��� ��(��� � h� h� �h���h�� h� ���� ��(��� ������������� ����������������������������h� �h�B������������ �� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:21:50Z</structure-indexed-at> </compound>