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January 28, 2026
C4H2N2OFCHHH
Datos Químicos de C4H2N2OFCHHH
ID
132186
Molecular Scaffold
gFy@LDiTvfdADRZb`
Molecular Formula
C4H2N2OFCHHH
Elemental Composition %
C: 35.7142857142857%
H: 35.7142857142857%
O: 7.14285714285714%
N: 14.2857142857143%
Weight
128.106
Programa de Cálculo
G16
SMILES
[NH]C1=C[C]OC(F)=N1.[H].[H].[H].[C]
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H2FN2O.CH4.3H2/c5-4-7-3(6)1-2-8-4;;;;/h1,6H;1H4;3*1H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XKJHPWMJNUXUOZ-UHFFFAOYSA-N