312496 <common-name>Diethyl 1-(3-chloro-2-methylphenyl)-2-methylpyrrole-3,4-dicarboxylate</common-name> <description>Diethyl 1-(3-chloro-2-methylphenyl)-2-methylpyrrole-3,4-dicarboxylate is a compound with the formula C18H20ClNO4. It has an average molecular weight of 349.80 g/mol.</description> <cas nil="true"/> <pubchem-id>24212718</pubchem-id> <chemical-formula>C18H20ClNO4</chemical-formula> <weight>349.8</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">2026-08-29T08:59:08Z</created-at> <updated-at type="dateTime">2026-08-29T08:59:08Z</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>CCOC(=O)C1=CN(C(=C1C(=O)OCC)C)C2=C(C(=CC=C2)Cl)C</moldb-smiles> <moldb-formula>C18H20ClNO4</moldb-formula> <moldb-inchi>InChI=1S/C18H20ClNO4/c1-5-23-17(21)13-10-20(12(4)16(13)18(22)24-6-2)15-9-7-8-14(19)11(15)3/h7-10H,5-6H2,1-4H3</moldb-inchi> <moldb-inchikey>WLOAQEHUDFRCHF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">349.1080858</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.2</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>CHEM308389</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>Diethyl 1-(3-chloro-2-methylphenyl)-2-methylpyrrole-3,4-dicarboxylate</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>CED0263427</sync-id> <structure-inchikey>WLOAQEHUDFRCHF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000800000000000000050000000000000000000000001080000000002000000000000000002000080000000000000000000800040000000000000000000480000200000000000000020000000000100000000000000010000000000010000000000000000000000000000000100000200020000000000000001000040000000800000000000000000000000000000000010020000000000000100000000004000000000080000000000000000000000000000088000000000000000000000000000000000010000004010000000002000000200020000000000000000000000000040000000000400000000000000000100000000000000</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�B��������� �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:19:26Z</structure-indexed-at> </compound>