21767 <common-name>Pmic chloride</common-name> <description>Pmic chloride is an organic compound with the chemical formula C11H8ClNO2 and an average molecular weight of 221.64 g/mol. Pmic chloride belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This substance has been identified in or released from one recorded source: building and construction floors.</description> <cas>16883-16-2</cas> <pubchem-id>85624</pubchem-id> <chemical-formula>C11H8ClNO2</chemical-formula> <weight>221.64</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">2016-05-22T07:18:28Z</created-at> <updated-at type="dateTime">2026-08-18T14:36:12Z</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(Cl)=O)C(=NO1)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C11H8ClNO2</moldb-formula> <moldb-inchi>InChI=1S/C11H8ClNO2/c1-7-9(11(12)14)10(13-15-7)8-5-3-2-4-6-8/h2-6H,1H3</moldb-inchi> <moldb-inchikey>HXEVQMXCHCDPSO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">221.64</moldb-average-mass> <moldb-mono-mass type="decimal">221.0243562</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>77224</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>CHEM020662</chemdb-id> <dsstox-id>DTXSID6057663</dsstox-id> <toxcast-id>57663</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00025542</susdat-id> <iupac>5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride</iupac> <moldb-polar-surface-area>43.1</moldb-polar-surface-area> <moldb-refractivity>58.528600000000004</moldb-refractivity> <moldb-polarizability>21.14956303276125</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-0.1724401426655181</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>2.93</moldb-alogps-logp> <moldb-alogps-logs>-3.35</moldb-alogps-logs> <moldb-alogps-solubility>9.90e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0015441</sync-id> <structure-inchikey>HXEVQMXCHCDPSO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000200000000000800000000000000000100000000040002004000000000000000004010000000000000000000000000000200000000000000020800000000000000000008000000000000000010000001000000000000000000000000000000000000000000000000000000040000000800000000000000000800000000100000000000000000000000800000800000000000000080000000000000000000000000000000000000002000000000000000000000000000000000010000000002000000200000000000000000000000000000040000000000440000400000000000000000000000000</structure-fingerprint> 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type="dateTime">2026-09-19T04:08:38Z</structure-indexed-at> </compound>