Cc1c([N+](=O)[O-])ccc(OCc2ccccc2)c1F
Name: 1-Benzyloxy-2-fluoro-3-methyl-4-nitrobenzene
SMILES: Cc1c([N+](=O)[O-])ccc(OCc2ccccc2)c1F

Molecular Processing

Molecular formula
C14H12FNO3
Molecular weight
261.25
Exact mass
261.0801
XLogP
3.62
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
68.57

Supplementary Information

Details werden geladen…

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