Name: 4-[1-(4-pentafluoroethyloxy-phenyl)-1H-[1,2,4]triazol-3-yl]-benzaldehyde
SMILES:
O=Cc1ccc(-c2ncn(-c3ccc(OC(F)(F)C(F)(F)F)cc3)n2)cc1Molecular Processing
Molecular formula
C17H10F5N3O2
Molecular weight
383.28
Exact mass
383.0693
XLogP
4.28
TPSA
57.01
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
83.81
Supplementary Information
Details werden geladen…
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