Name: 3-bromo-1-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazole
SMILES:
FC(F)(F)c1ccc(-n2cnc(Br)n2)cc1Molecular Processing
Molecular formula
C9H5BrF3N3
Molecular weight
292.06
Exact mass
290.9619
XLogP
3.05
TPSA
30.71
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
54.06
Supplementary Information
Details werden geladen…
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