Chem
J-GLOBAL ID：200907055660978983   Nikkaji number：J576.040B

4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzoic acid

4-(3-トリフルオロメチル-3H-ジアジリン-3-イル)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： C9H5F3N2O2
Molecular formula furigana： C9-H5-F3-N2-O2
Molecular weight： 230.146
InChI： InChI=1S/C9H5F3N2O2/c10-9(11,12)8(13-14-8)6-3-1-5(2-4-6)7(15)16/h1-4H,(H,15,16)
InChI key： CZPAJVBVULSLGG-UHFFFAOYSA-N
SMILES： OC(=O)c1ccc(cc1)C1(N=N1)C(F)(F)F
Systematic name  (3)：
  • 4-(3-トリフルオロメチル-3H-ジアジリン-3-イル)安息香酸
  • 4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]安息香酸
  • 4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoic acid
Other name (1)：
  • 4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzoic acid
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