75859 <common-name>Bromchlorenone</common-name> <description>Bromchlorenone is an organic compound with the formula C7H3Br1Cl1N1O2 and an average molecular weight of 248.46 g/mol. Bromchlorenone belongs to the benzoxazolones, a subclass of benzoxazoles within the organic compounds. This organoheterocyclic compound has been identified in or released from two recorded sources, which include tobacco smoke filters and household cleaning and consumer products such as soap dispensers.</description> <cas>5579-85-1</cas> <pubchem-id>21749</pubchem-id> <chemical-formula>C7H3Br1Cl1N1O2</chemical-formula> <weight>248.46</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">2026-04-04T05:28:11Z</created-at> <updated-at type="dateTime">2026-08-23T23:23:43Z</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>DB20459</drugbank-id> <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>ClC1=C(Br)C=C2OC(=O)NC2=C1</moldb-smiles> <moldb-formula>C7H3Br1Cl1N1O2</moldb-formula> <moldb-inchi>InChI=1S/C7H3BrClNO2/c8-3-1-6-5(2-4(3)9)10-7(11)12-6/h1-2H,(H,10,11)</moldb-inchi> <moldb-inchikey>KVAWWXSLBDVXHJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">248.46</moldb-average-mass> <moldb-mono-mass type="decimal">246.903569</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>20441</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>CHEM071752</chemdb-id> <dsstox-id>DTXSID70204356</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00033396</susdat-id> <iupac>6-bromo-5-chloro-3H-1,3-benzoxazol-2-one</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>Benzoxazoles</klass> <subklass>Benzoxazolones</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0110496</sync-id> <structure-inchikey>KVAWWXSLBDVXHJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000000000000000000000000000000200000000020000000000002000000000000000004004000000000008000000004000000400000000400000002000020800000000000000000800100000000000000000000004000000000100000000000000000000000000020000000000000000000000000000000200000000000000000000000000000000000000000000000000000100000000000080000000000000000000000000000000000000000000000000000000800000100000000000010000000000000004000000000000000800000000000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>40112040080001010090820000000042002842000002420c0020000cc4000081402800000000001080080000004200020008c30810000443804a0420084111400061004180090100000620003000001905001003242000420102108000c080406004002002010000040100000200680308001c0041108082000110002024000084c400000080002020a086018300c8a1ac4001402202008002040408480c720000000c24102000958013c231002c404008a4108401881628048405310000002040401031309800002040502801500000842004020040002040800010020100018000002000040001011002000801000101844000a4000090050000084</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ�������������������� ���€��� �����@(������@(�����#� �����@h�������@(������@(������@(�������(������@8�������@(������@h������������h������h���h���h���h���(�� h� h� �h���h� �h�B������� ������ �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:24:02Z</structure-indexed-at> </compound>