Name: 1,4-difluoro-2-(3-fluoro-benzyloxy)-5-nitrobenzene
SMILES:
O=[N+]([O-])c1cc(F)c(OCc2cccc(F)c2)cc1FMolecular Processing
Molecular formula
C13H8F3NO3
Molecular weight
283.2
Exact mass
283.0456
XLogP
3.59
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
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
0.077
Molar refractivity
63.74
Supplementary Information
Details werden geladen…
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