O=[N+]([O-])c1ccc(C(F)(F)F)c(C(F)(F)F)c1
Name: 3,4-bis(trifluoromethyl)nitrobenzene
SMILES: O=[N+]([O-])c1ccc(C(F)(F)F)c(C(F)(F)F)c1

Molecular Processing

Molecular formula
C8H3F6NO2
Molecular weight
259.1
Exact mass
259.0068
XLogP
3.63
TPSA
43.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
43.1

Supplementary Information

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