Chem
J-GLOBAL ID:200907011957292447   Nikkaji number:J557.365C

NS-004

NS-004
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: C14H8ClF3N2O2
Molecular formula furigana: C14-H8-CL-F3-N2-O2
Molecular weight: 328.680
InChI: InChI=1S/C14H8ClF3N2O2/c15-8-2-4-12(21)11(6-8)20-10-3-1-7(14(16,17)18)5-9(10)19-13(20)22/h1-6,21H,(H,19,22)
InChI key: WYLYBVMNGZOYOH-UHFFFAOYSA-N
SMILES: Oc1ccc(Cl)cc1n1c2ccc(cc2[nH]c1=O)C(F)(F)F
Systematic name  (3):
  • 1-(5-クロロ-2-ヒドロキシフェニル)-1,3-ジヒドロ-5-(トリフルオロメチル)-2H-ベンゾイミダゾール-2-オン
  • 1-(5-クロロ-2-ヒドロキシフェニル)-5-(トリフルオロメチル)-2,3-ジヒドロ-1H-1,3-ベンゾジアゾール-2-オン
  • 1-(5-chloro-2-hydroxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
Other name (2):
  • NS-004
  • 1-(5-Chloro-2-hydroxyphenyl)-1,3-dihydro-5-(trifluoromethyl)-2H-benzimidazol-2-one
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