291005 <common-name>2-[1-(2,3-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid</common-name> <description>2-[1-(2,3-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid belongs to the substituted pyrroles, a subclass of pyrroles within the organic compounds. This organoheterocyclic compound has the chemical formula C14H13Cl2NO2 and an average molecular weight of 298.20 g/mol.</description> <cas>42780-31-4</cas> <pubchem-id>206063</pubchem-id> <chemical-formula>C14H13Cl2NO2</chemical-formula> <weight>298.2</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">2026-08-28T05:10:25Z</created-at> <updated-at type="dateTime">2026-08-28T05:10:25Z</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=CC(=C(N1C2=C(C(=CC=C2)Cl)Cl)C)CC(=O)O</moldb-smiles> <moldb-formula>C14H13Cl2NO2</moldb-formula> <moldb-inchi>InChI=1S/C14H13Cl2NO2/c1-8-6-10(7-13(18)19)9(2)17(8)12-5-3-4-11(15)14(12)16/h3-6H,7H2,1-2H3,(H,18,19)</moldb-inchi> <moldb-inchikey>KOXYJESPJRETGR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">297.032334</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.8</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>CHEM286898</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-[1-(2,3-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid</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>Organoheterocyclic compounds</superklass> <klass>Pyrroles</klass> <subklass>Substituted pyrroles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0242588</sync-id> <structure-inchikey>KOXYJESPJRETGR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000001000000000000000040000000002000004000000000000000000000000000000000040000000400000000000000000000020000000000000000000000000000000000000010000002000000000521000000020000100000020020000000010000001000040000000800000000000000000000000000000000000000000000400000100000000000004000000080000000000000000000000000000000000000000000000000000000000000000010000002010000000002000400200020000000000000040000000000040000000000400000000000000000040000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@(������@(������@(������@(������@(������@(������@h�������@h�������@h�������� ������ ������`�������`�������(�������(�������h������������h���h���h���h��� ��h���h�� h� h� �h����� ������������(��� ��h���h�B������������� ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:03:29Z</structure-indexed-at> </compound>