이름: (5-Methoxy-2-nitro-4-trifluoromethylphenyl)acetonitrile
SMILES:
COc1cc(CC#N)c([N+](=O)[O-])cc1C(F)(F)FMolecular Processing
Molecular formula
C10H7F3N2O3
Molecular weight
260.17
Exact mass
260.0409
XLogP
2.69
TPSA
76.16
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
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
0.3
Molar refractivity
53.97
Supplementary Information
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