이름: 2-(2,2,2-trifluoroethoxy)-4-nitrobenzaldehyde
SMILES:
O=Cc1ccc([N+](=O)[O-])cc1OCC(F)(F)FMolecular Processing
Molecular formula
C9H6F3NO4
Molecular weight
249.14
Exact mass
249.0249
XLogP
2.35
TPSA
69.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
50.03
Supplementary Information
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