Chem
J-GLOBAL ID：200907002919660468   Nikkaji number：J648.448D

3,5-ビス(トリフルオロメチル)-4H-1,2,4-トリアゾール-4-酢酸メチル

3,5-ビス(トリフルオロメチル)-4H-1,2,4-トリアゾール-4-酢酸メチル
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： C7H5F6N3O2
Molecular formula furigana： C7-H5-F6-N3-O2
Molecular weight： 277.126
InChI： InChI=1S/C7H5F6N3O2/c1-18-3(17)2-16-4(6(8,9)10)14-15-5(16)7(11,12)13/h2H2,1H3
InChI key： FMGMHALQBMTIQO-UHFFFAOYSA-N
SMILES： COC(=O)Cn1c(nnc1C(F)(F)F)C(F)(F)F
Systematic name  (3)：
  • 3,5-ビス(トリフルオロメチル)-4H-1,2,4-トリアゾール-4-酢酸メチル
  • メチル 2-[3,5-ビス(トリフルオロメチル)-4H-1,2,4-トリアゾール-4-イル]アセタート
  • methyl 2-[3,5-bis(trifluoromethyl)-4H-1,2,4-triazol-4-yl]acetate
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