이름: 1-chloro-4-(4-methoxypyridin-2-yl)-2-nitrobenzene
SMILES:
COc1ccnc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1Molecular Processing
Molecular formula
C12H9ClN2O3
Molecular weight
264.67
Exact mass
264.0302
XLogP
3.32
TPSA
65.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
67.89
Supplementary Information
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