314046 <common-name>(2,4-dinitro-6-octan-2-ylphenyl) 2-chlorobutanoate</common-name> <description>(2,4-dinitro-6-octan-2-ylphenyl) 2-chlorobutanoate is a chemical compound with the formula C18H25ClN2O6. It has an average molecular weight of 400.90 g/mol.</description> <cas>2411-01-0</cas> <pubchem-id>17006</pubchem-id> <chemical-formula>C18H25ClN2O6</chemical-formula> <weight>400.9</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">2026-08-29T11:01:33Z</created-at> <updated-at type="dateTime">2026-08-29T11:01:33Z</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>CCCCCCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C(CC)Cl</moldb-smiles> <moldb-formula>C18H25ClN2O6</moldb-formula> <moldb-inchi>InChI=1S/C18H25ClN2O6/c1-4-6-7-8-9-12(3)14-10-13(20(23)24)11-16(21(25)26)17(14)27-18(22)15(19)5-2/h10-12,15H,4-9H2,1-3H3</moldb-inchi> <moldb-inchikey>FQHWVRPELKNIHV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">400.1401142</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.7</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>CHEM309939</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>(2,4-dinitro-6-octan-2-ylphenyl) 2-chlorobutanoate</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>Phenol esters</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0264945</sync-id> <structure-inchikey>FQHWVRPELKNIHV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000000008000000000000000100000000000012000000004000100000010020000000004000020000000200000400000000000000000000002000000000000000000000100400000200000200000000001000018000010004000000000200100000002000000001000000000200000000000000000000000000000000000400000000000000000000100000000040010000000000000000000201000000000000000000000000a0800000000000008000000000000000000000000800000200000000000000000000000000010000000000040000000000000000000400000000400000040000000018400000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAbAAAAGwAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAwEGAGAA AAABAwZAKAAAAAMEBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAME BkBoAAAAAwMBByAqAAAAAQMECAAoAAAAAwIIICoAAAD/AwEHICoAAAABAwQI ACgAAAADAgggKgAAAP8DAQgAKAAAAAMCBgAoAAAAAwQIACgAAAADAgYAYAAA AAMBBgBgAAAAAgIGAGAAAAABAxEAIAAAAAELAAEAAQIAAgMAAwQABAUABQYA BgcABggACAloDAkKaAwKC2gMCwxoDAwNaAwMDiAODygCDhAgChEgERIoAhET IAkUIBQVIBUWKAIVFwAXGAAYGQAXGgANCGgMQgEAAAAGCA0MCwoJFwQAAAAA AAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:20:34Z</structure-indexed-at> </compound>