364453 <common-name>2-amino-1-(3-bromo-4-methylphenyl)ethanone</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>80502740</pubchem-id> <chemical-formula>C9H10BrNO</chemical-formula> <weight>228.09</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">2026-09-01T14:30:46Z</created-at> <updated-at type="dateTime">2026-09-01T14:30:46Z</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)C(=O)CN)Br</moldb-smiles> <moldb-formula>C9H10BrNO</moldb-formula> <moldb-inchi>InChI=1S/C9H10BrNO/c1-6-2-3-7(4-8(6)10)9(12)5-11/h2-4H,5,11H2,1H3</moldb-inchi> <moldb-inchikey>CMNRBPBFZSZZMO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">226.99458</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.8</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>CHEM360346</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-amino-1-(3-bromo-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" nil="true"/> <sync-id>CED0314445</sync-id> <structure-inchikey>CMNRBPBFZSZZMO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>50000000000000800000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000001000000000000800000000000000000010000004000000000100000000000000000000000000400000000000000000040000000000000000000000000001000000000000000000000000000000000000000000000000000084100000000000000000000000000000000000000000000000000000000000100000100000000144000002000000200000000000000000000000000000040000100000400000000000000000000002000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@h�������@(������@h�������@h��������(�������(�������`�������`�����#� ����������h���h���h���h���h��� ��(�� � ������h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:00:52Z</structure-indexed-at> </compound>