Nombre: 2-iodo-5-(trifluoromethyl)benzonitrile
SMILES:
N#Cc1cc(C(F)(F)F)ccc1IMolecular Processing
Molecular formula
C8H3F3IN
Molecular weight
297.02
Exact mass
296.9262
XLogP
3.18
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
48.88
Supplementary Information
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