76772 <common-name>Bromomethyl 2-naphthyl ketone</common-name> <description>Bromomethyl 2-naphthyl ketone belongs to the naphthalenes, a class of benzenoids within the organic compounds. It has the formula C12H9Br1O1 and an average molecular weight of 249.11 g/mol.</description> <cas>613-54-7</cas> <pubchem-id>69179</pubchem-id> <chemical-formula>C12H9Br1O1</chemical-formula> <weight>249.1</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">2026-04-04T07:27:00Z</created-at> <updated-at type="dateTime">2026-08-18T21:56:17Z</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>BrCC(=O)C1=CC2=CC=CC=C2C=C1</moldb-smiles> <moldb-formula>C12H9Br1O1</moldb-formula> <moldb-inchi>InChI=1S/C12H9BrO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2</moldb-inchi> <moldb-inchikey>YHXHHGDUANVQHE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">249.107</moldb-average-mass> <moldb-mono-mass type="decimal">247.983678</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>62394</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>CHEM072665</chemdb-id> <dsstox-id>DTXSID70210199</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00034654</susdat-id> <iupac>2-bromo-1-naphthalen-2-ylethanone</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>Naphthalenes</klass> <subklass nil="true"/> <paper-count type="integer">38</paper-count> <sync-id>CED0025305</sync-id> <structure-inchikey>YHXHHGDUANVQHE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000100000000000100000000000000000200000000000000000000000000000000000000000000000000000000000000000000200000000000020000001000000000000800000000000000000010000000000000000100000000000000000000000000000000000000000000000000041800040000000000000000000000100000000000000000000000000000000000000000000084000000000000000000000000000000000000200000000000000000000000000000000000000044000000000000200000000000000000000000001000040000000000400000002000000000000000000000000</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���h�� h� h� �h���h�� h� �h���h�B������ ������� ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:24:40Z</structure-indexed-at> </compound>