이름: 2-[4-methyl-3-(trifluoromethoxy)phenoxy]-5-nitropyridine
SMILES:
Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1OC(F)(F)FMolecular Processing
Molecular formula
C13H9F3N2O4
Molecular weight
314.22
Exact mass
314.0514
XLogP
3.99
TPSA
74.49
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
68.83
Supplementary Information
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