76911 <common-name>2-Bromo-4'-methylacetophenone</common-name> <description>2-Bromo-4'-methylacetophenone belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C9H9Br1O1 and an average molecular weight of 213.07 g/mol. This substance is further classified as an organic oxygen compound.</description> <cas>619-41-0</cas> <pubchem-id>69272</pubchem-id> <chemical-formula>C9H9Br1O1</chemical-formula> <weight>213.07</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">2026-04-04T07:46:55Z</created-at> <updated-at type="dateTime">2026-08-25T22:32:13Z</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=CC=C(C=C1)C(=O)CBr</moldb-smiles> <moldb-formula>C9H9Br1O1</moldb-formula> <moldb-inchi>InChI=1S/C9H9BrO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5H,6H2,1H3</moldb-inchi> <moldb-inchikey>KRVGXFREOJHJAX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">213.074</moldb-average-mass> <moldb-mono-mass type="decimal">211.983678</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>62483</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>CHEM072804</chemdb-id> <dsstox-id>DTXSID40210929</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00034859</susdat-id> <iupac>2-bromo-1-(4-methylphenyl)ethanone</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>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer">28</paper-count> <sync-id>CED0027391</sync-id> <structure-inchikey>KRVGXFREOJHJAX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000001000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000000000000800000000000000000010000000000000000000000000000000000000000000000000000000000000040000040000040000000000000000000000000000000000000000000000000000000000000000000084000000000000000000000000000000000000200000000000000000000200000000000000000044000002000000200000000000000000100000000000040000000000480000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@h�������@(������@h�������@h��������(�������(�������`�����#� ����������h���h���h���h���h��� ��(�� � ���h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:24:46Z</structure-indexed-at> </compound>