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    <!-- http://purl.obolibrary.org/obo/CHEBI_24431 -->

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    <!-- http://purl.obolibrary.org/obo/CHEBI_35227 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_35227">
        <rdfs:label>4-nitrotoluene</rdfs:label>
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        <ns4:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns4:charge>
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        <oboInOwl:hasAlternativeId>CHEBI:20461</oboInOwl:hasAlternativeId>
        <oboInOwl:hasRelatedSynonym>p-methylnitrobenzene</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>cas:99-99-0</oboInOwl:hasDbXref>
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        <oboInOwl:hasRelatedSynonym>para-Nitrotoluol</oboInOwl:hasRelatedSynonym>
        <ns3:IAO_0000115>A mononitrotoluene that consists of toluene bearing a nitro substituent at the 4-position.</ns3:IAO_0000115>
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        <ns4:inchi_string>InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3</ns4:inchi_string>
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        <ns4:generalized_empirical_formula>C7H7NO2</ns4:generalized_empirical_formula>
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        <oboInOwl:hasRelatedSynonym>4-nitrotoluene</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>4-Nitrotoluol</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>PNT</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>beilstein:1906911</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:23389716</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>reaxys:1906911</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>1-methyl-4-nitrobenzene</oboInOwl:hasRelatedSynonym>
        <ns4:smiles_string>Cc1ccc([N+](=O)[O-])cc1</ns4:smiles_string>
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        <oboInOwl:hasRelatedSynonym>4-methylnitrobenzene</oboInOwl:hasRelatedSynonym>
        <ns4:inchi_key_string>ZPTVNYMJQHSSEA-UHFFFAOYSA-N</ns4:inchi_key_string>
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        <oboInOwl:hasDbXref>kegg.compound:C14394</oboInOwl:hasDbXref>
        <oboInOwl:hasAlternativeId>CHEBI:33097</oboInOwl:hasAlternativeId>
        <oboInOwl:hasDbXref>gmelin:26926</oboInOwl:hasDbXref>
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