362806 <common-name>Methyl (3-methyl-4-nitrophenyl) hydrogen phosphate</common-name> <description>Methyl (3-methyl-4-nitrophenyl) hydrogen phosphate is a chemical compound with the formula C8H10NO6P. It has an average molecular weight of 247.14 g/mol.</description> <cas>15930-84-4</cas> <pubchem-id>167496</pubchem-id> <chemical-formula>C8H10NO6P</chemical-formula> <weight>247.14</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">2026-09-01T12:13:00Z</created-at> <updated-at type="dateTime">2026-09-01T12:13:00Z</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=CC(=C1)OP(=O)(O)OC)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C8H10NO6P</moldb-formula> <moldb-inchi>InChI=1S/C8H10NO6P/c1-6-5-7(15-16(12,13)14-2)3-4-8(6)9(10)11/h3-5H,1-2H3,(H,12,13)</moldb-inchi> <moldb-inchikey>PFGNIZHUAOEYKD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">247.024574</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.2</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>CHEM358699</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>Methyl (3-methyl-4-nitrophenyl) hydrogen phosphate</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">18</paper-count> <sync-id>CED0030572</sync-id> <structure-inchikey>PFGNIZHUAOEYKD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000000000000000000000000000000000080000000000000000000000004000000200000002000000000000000000000000000000002000000000000000000000000000040000000000020000000000100001a00000001400000000001010000000240000000100000000040000200000000000800000000000000000040000000000000000000000000000000001000000000000000000000000000000000000008000000080100000000000000000000000000000040000000000000000000000000000000000000000000000000002000000200000000000000010000020000000040000000000000000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEAAAAIABBgBgAAAAAQMGQCgAAAAD BAZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEI ACgAAAADAg8AIAAAAAUIACgAAAADAggAYAAAAAEBCAAgAAAAAgYAYAAAAAED ByAqAAAAAQMECAAoAAAAAwIIICoAAAD/AwELAAEAAQJoDAIDaAwDBGgMBAVo DAUGaAwFByAHCAAICQgCCAoACAsACwwAAg0gDQ4oAg0PIAYBaAxCAQAAAAYB BgUEAwIXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:59:42Z</structure-indexed-at> </compound>