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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC BY 3.0, For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

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Accession:CHEBI:142281 term browser browse the term
Definition:A nitrotoluene that is toluene in which the hydrogens ortho- to the methyl group have been replaced by a chlorine and a nitro group. A low-melting (37 degreeC) solid.
Synonyms:exact_synonym: 1-chloro-2-methyl-3-nitrobenzene
 related_synonym: 3-chloro-2-methylnitrobenzene;   6,2-chloronitrotoluene;   Formula=C7H6ClNO2;   InChI=1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3;   InChIKey=XCSNRORTQRKCHB-UHFFFAOYSA-N;   SMILES=C1(=C(C(=CC=C1)[N+](=O)[O-])C)Cl
 xref: CAS:83-42-1;   MetaCyc:CPD-18115;   PMID:11823201;   PMID:21522365;   Reaxys:1239924

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Path 1
Term Annotations click to browse term
  CHEBI ontology 20050
    chemical entity 20049
      molecular entity 20047
        polyatomic entity 19974
          molecule 19831
            organic molecule 19809
              volatile organic compound 15580
                2-chloro-6-nitrotoluene 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20050
    subatomic particle 20048
      composite particle 20048
        hadron 20048
          baryon 20048
            nucleon 20048
              atomic nucleus 20048
                atom 20048
                  main group element atom 19948
                    p-block element atom 19948
                      carbon group element atom 19872
                        carbon atom 19863
                          organic molecular entity 19863
                            organic molecule 19809
                              organic cyclic compound 19572
                                carbocyclic compound 18516
                                  benzenoid aromatic compound 17764
                                    benzenes 17567
                                      toluenes 6312
                                        nitrotoluene 3886
                                          2-chloro-6-nitrotoluene 0
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