68852 <common-name>Carbonic acid, 1,1-dimethylethyl 4-nitrophenyl ester</common-name> <description>Carbonic acid, 1,1-dimethylethyl 4-nitrophenyl ester belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the formula C11H13N1O5 and an average molecular weight of 239.23 g/mol.</description> <cas>13303-10-1</cas> <pubchem-id>83324</pubchem-id> <chemical-formula>C11H13N1O5</chemical-formula> <weight>239.22</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">2026-04-03T13:45:30Z</created-at> <updated-at type="dateTime">2026-08-18T09:50:50Z</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>CC(C)(C)OC(=O)OC1=CC=C(C=C1)[N+]([O-])=O</moldb-smiles> <moldb-formula>C11H13N1O5</moldb-formula> <moldb-inchi>InChI=1S/C11H13NO5/c1-11(2,3)17-10(13)16-9-6-4-8(5-7-9)12(14)15/h4-7H,1-3H3</moldb-inchi> <moldb-inchikey>XNPGBDJTEBCMHA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">239.227</moldb-average-mass> <moldb-mono-mass type="decimal">239.079373</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>75184</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>CHEM064745</chemdb-id> <dsstox-id>DTXSID8065408</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00024256</susdat-id> <iupac>tert-butyl (4-nitrophenyl) carbonate</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>Benzene and substituted derivatives</klass> <subklass>Nitrobenzenes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0186714</sync-id> <structure-inchikey>XNPGBDJTEBCMHA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000000000000000010004000000000000000000200000000000000000800000000000000000000000000000000000000000010000000000000000000020000000000100001200000000400040000000010000000200000000000000000000000000000000000000000000000000000040000000000000000000000000000000001000000000000000000020040000000000000000000000080000000000000002000000000000010000000000000000020000000000000000000000000000000000000040000200000000000000420000000000100040000000000400000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������(�������(�������(�������(������@(������@h�������@h�������@(������@h�������@h������� *������� *���ÿ����(�������������������� ��(��� �� � h� h� �h���h�� h��� �� ��(� �h�B������ �� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:18:45Z</structure-indexed-at> </compound>