362533 <common-name>1-(2-bromoethenyl)-5-methyl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane-3,7-dione</common-name> <description>1-(2-bromoethenyl)-5-methyl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane-3,7-dione is a chemical compound with the formula C7H9BBrNO4. It has an average molecular weight of 261.87 g/mol.</description> <cas>1105069-27-9</cas> <pubchem-id>137705193</pubchem-id> <chemical-formula>C7H9BBrNO4</chemical-formula> <weight>261.87</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">2026-09-01T11:48:47Z</created-at> <updated-at type="dateTime">2026-09-01T11:48:47Z</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>[B-]12([N+](CC(=O)O1)(CC(=O)O2)C)C=CBr</moldb-smiles> <moldb-formula>C7H9BBrNO4</moldb-formula> <moldb-inchi>InChI=1S/C7H9BBrNO4/c1-10-4-6(11)13-8(10,2-3-9)14-7(12)5-10/h2-3H,4-5H2,1H3</moldb-inchi> <moldb-inchikey>AYYUZOQBVAPABR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">260.9808</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM358426</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>1-(2-bromoethenyl)-5-methyl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane-3,7-dione</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 acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0312595</sync-id> <structure-inchikey>AYYUZOQBVAPABR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000000000000200000000000000000000000000000000000000000000000000000002000000000000000000000000020208400000002000000008000000000000000000000000000000000000000000000000200000000002000000000000000000000400000000000000000000000000000000000000000000000000000080000000000000000000000000800000000020000000100000000000000000000000000000000000100080000001000000000a0000000000000004000000000000000000000000001000000000000000000000000000000000400000000000800</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADwAAAIABBSAiAAAA/wQHICIAAAAB BAYAYAAAAAICBgAoAAAAAwQIACgAAAADAggAKAAAAAMCBgBgAAAAAgIGACgA AAADBAgAKAAAAAMCCAAoAAAAAwIGAGAAAAABAwYAaAAAAAMDAQYAaAAAAAMD ASMAIAAAAAELAAEAAQIAAgMAAwQoAgMFIAEGAAYHAAcIKAIHCSABCgAACwAL DAgCDA0ABQAACQAAQgIAAAAFAgEABQMFBgEACQcXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:59:31Z</structure-indexed-at> </compound>