Name: trifluoro-2-nitro-p-tolyl ether
SMILES:
O=[N+]([O-])c1cc(Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)ccc1C(F)(F)FMolecular Processing
Molecular formula
C14H6F6N2O5
Molecular weight
396.2
Exact mass
396.0181
XLogP
5.33
TPSA
95.51
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
76.27
Supplementary Information
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