Chem
J-GLOBAL ID：200907080598079130   Nikkaji number：J41.196E

2-Chloro-4-nitrobenzoic acid

2-クロロ-4-ニトロ安息香酸
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： C7H4Cl[N+]O3[O-]
Molecular formula furigana： C7-H4-CL-N-O4
Molecular weight： 201.560
InChI： InChI=1S/C7H4ClNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11)
InChI key： QAYNSPOKTRVZRC-UHFFFAOYSA-N
SMILES： OC(=O)c1ccc(cc1Cl)[N+](=O)[O-]
Systematic name  (3)：
  • 4-ニトロ-2-クロロ安息香酸
  • 2-クロロ-4-ニトロ安息香酸
  • 2-chloro-4-nitrobenzoic acid
Other name (2)：
  • 2-Chloro-4-nitrobenzoic acid
  • 4-Nitro-2-chlorobenzoic acid
CAS registry number： 99-60-5
Regulation number (4)：
  • DG5425000
  • (3)-1502
  • EINECS2027710
  • TSCA(99-60-5)
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