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January 28, 2026
C7H5N
Datos Químicos de C7H5N
ID
5347
Molecular Scaffold
gFp@DiTt@@@
Molecular Formula
C7H5N
Elemental Composition %
C: 53.8461538461539%
H: 38.4615384615385%
O: 0%
N: 7.69230769230769%
Weight
103.124
Programa de Cálculo
G16
SMILES
N#Cc1ccccc1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JFDZBHWFFUWGJE-UHFFFAOYSA-N