364099 <common-name>2-(bromomethyl)-4-chloro-1-methylbenzene</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>49757981</pubchem-id> <chemical-formula>C8H8BrCl</chemical-formula> <weight>219.5</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">2026-09-01T13:52:50Z</created-at> <updated-at type="dateTime">2026-09-01T13:52:50Z</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>CC1=C(C=C(C=C1)Cl)CBr</moldb-smiles> <moldb-formula>C8H8BrCl</moldb-formula> <moldb-inchi>InChI=1S/C8H8BrCl/c1-6-2-3-8(10)4-7(6)5-9/h2-4H,5H2,1H3</moldb-inchi> <moldb-inchikey>QBPPJEQXSUCTQP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">217.94979</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>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>CHEM359992</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>2-(bromomethyl)-4-chloro-1-methylbenzene</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>Benzyl halides</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0314112</sync-id> <structure-inchikey>QBPPJEQXSUCTQP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000400000000000080200200100000001000000000000000000000000000000000000000000000000000000000040000000000400000000000000000000000000000000000000000800000000000000000000080000000000000100000000000000000000000000000000000000000000040000000000000000000000000000000000000000000000000000000000000000000000004000000080100000000000000000000000000000000000020000000000000000000000000000000000010100000002000000200000000000000000000000000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>2000102000000000000000820000000000002040000002420400200000c4000081400800000000001000080000004200020008c20010000c43000a0000080110000020000100000100040620000000001004000012200000420000000000c200404004002000000000040100000200080100001000411080000001100020040000804400000080002000a000010100c0002440010800000080000000000800120000000c00000000800003c221002c0000002430840000000000000021000000204040000100180000000050000000000004000400000000000080001000000000000010000000000001002000000000010004000020000000050000000</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€���`������@(������@(������@h�������@(������@h�������@h�������� ������`�����#� ����������h���h���h���h���h�������� ���h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:00:31Z</structure-indexed-at> </compound>