21420 <common-name>9-Bromoanthracene</common-name> <description>9-Bromoanthracene belongs to the anthracenes, a class of benzenoids within the organic compounds. This compound has the chemical formula $\text{C}_{14}\text{H}_9\text{Br}$ and an average molecular weight of 257.13 g/mol.</description> <cas>1564-64-3</cas> <pubchem-id>74062</pubchem-id> <chemical-formula>C14H9Br</chemical-formula> <weight>257.12</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">2016-05-22T07:00:15Z</created-at> <updated-at type="dateTime">2026-08-19T08:27:33Z</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>BrC1=C2C=CC=CC2=CC2=CC=CC=C12</moldb-smiles> <moldb-formula>C14H9Br</moldb-formula> <moldb-inchi>InChI=1S/C14H9Br/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H</moldb-inchi> <moldb-inchikey>ZIRVQSRSPDUEOJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">257.13</moldb-average-mass> <moldb-mono-mass type="decimal">255.988763</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>10834</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>CHEM020315</chemdb-id> <dsstox-id>DTXSID6049224</dsstox-id> <toxcast-id>49224</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00025080</susdat-id> <iupac>9-bromoanthracene</iupac> <moldb-polar-surface-area>0.0</moldb-polar-surface-area> <moldb-refractivity>66.58120000000001</moldb-refractivity> <moldb-polarizability>23.834216121605426</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>0</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>5.23</moldb-alogps-logp> <moldb-alogps-logs>-6.71</moldb-alogps-logs> <moldb-alogps-solubility>5.00e-05 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Anthracenes</klass> <subklass nil="true"/> <paper-count type="integer">21</paper-count> <sync-id>CED0020578</sync-id> <structure-inchikey>ZIRVQSRSPDUEOJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000000000000000000000000000000000000000000800000000000000000000000000800000000100000000000000000000000000000000000000000000000000001800000000000000001000000000100000000000000000000000000000000000080040000080000000000000000002000000000000000000000000000040000000000000100000000000000000000000000000200000000000000000000000001000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAAEQAAAIABIwAgAAAAAQZAKAAAAAME BkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEG QCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBo AAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQLAAEAAQJoDAIDaAwDBGgMBAVoDAUG aAwGB2gMBwhoDAgJaAwJCmgMCgtoDAsMaAwMDWgMDQ5oDA4BaAwHAmgMDglo DEIDAAAABgEOCQgHAgYDBAUGBwIGCgsMDQ4JFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:08:31Z</structure-indexed-at> </compound>