Chem
J-GLOBAL ID：201907016092903304   Nikkaji number：J3.740.509D

1-[(2-chlorophenyl)methyl]-2-(3-fluorophenyl)-5-(trifluoromethyl)-1,3-benzodiazole

1-[(2-クロロフェニル)メチル]-2-(3-フルオロフェニル)-5-(トリフルオロメチル)-1,3-ベンゾジアゾール
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： C21H13ClF4N2
Molecular formula furigana： C21-H13-CL-F4-N2
Molecular weight： 404.790
InChI： InChI=1S/C21H13ClF4N2/c22-17-7-2-1-4-14(17)12-28-19-9-8-15(21(24,25)26)11-18(19)27-20(28)13-5-3-6-16(23)10-13/h1-11H,12H2
InChI key： JYTFBCHTAPOOLN-UHFFFAOYSA-N
SMILES： c12n(c(nc1cc(cc2)C(F)(F)F)c1cc(ccc1)F)Cc1c(cccc1)Cl
Systematic name  (3)：
  • 1-(2-クロロベンジル)-2-(3-フルオロフェニル)-5-(トリフルオロメチル)-1H-ベンゾイミダゾール
  • 1-[(2-クロロフェニル)メチル]-2-(3-フルオロフェニル)-5-(トリフルオロメチル)-1H-1,3-ベンゾジアゾール
  • 1-[(2-chlorophenyl)methyl]-2-(3-fluorophenyl)-5-(trifluoromethyl)-1H-1,3-benzodiazole
Other name (2)：
  • 1-[(2-クロロフェニル)メチル]-2-(3-フルオロフェニル)-5-(トリフルオロメチル)-1,3-ベンゾジアゾール
  • 1-[(2-chlorophenyl)methyl]-2-(3-fluorophenyl)-5-(trifluoromethyl)-1,3-benzodiazole
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