이름: 1-Chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene
SMILES:
COc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C8H5ClF3NO3
Molecular weight
255.58
Exact mass
254.991
XLogP
3.28
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
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
0.25
Molar refractivity
49.66
Supplementary Information
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