Name: Intermediate 81
SMILES:
COc1ccc(C=C[N+](=O)[O-])cc1FMolecular Processing
Molecular formula
C9H8FNO3
Molecular weight
197.16
Exact mass
197.0488
XLogP
2.08
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
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
0.111
Molar refractivity
48.98
Supplementary Information
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