Chem
J-GLOBAL ID：201007057556806830   Nikkaji number：J2.788.474A

MC-3761

5-(2,4,6-トリクロロフェノキシ)-2-ニトロ安息香酸メチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C14H8Cl3[N+]O4[O-]
Molecular formula furigana： C14-H8-CL3-N-O5
Molecular weight： 376.570
InChI： InChI=1S/C14H8Cl3NO5/c1-22-14(19)9-6-8(2-3-12(9)18(20)21)23-13-10(16)4-7(15)5-11(13)17/h2-6H,1H3
InChI key： KZPZKNHAIWLBJQ-UHFFFAOYSA-N
SMILES： COC(=O)c1cc(Oc2c(Cl)cc(Cl)cc2Cl)ccc1[N+](=O)[O-]
Systematic name  (3)：
  • 5-(2,4,6-トリクロロフェノキシ)-2-ニトロ安息香酸メチル
  • メチル 2-ニトロ-5-(2,4,6-トリクロロフェノキシ)ベンゾアート
  • methyl 2-nitro-5-(2,4,6-trichlorophenoxy)benzoate
Other name (2)：
  • 5-(2,4,6-Trichlorophenoxy)-2-nitrobenzoic acid methyl ester
  • MC-3761
KEGG COMPOUND： C11067
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