Nombre: 2′,4′,6′-triiodo-3-nitrobiphenyl-4-carboxylic acid
SMILES:
O=C(O)c1ccc(-c2c(I)cc(I)cc2I)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C13H6I3NO4
Molecular weight
620.91
Exact mass
620.7431
XLogP
4.77
TPSA
80.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0
Molar refractivity
103.64
Supplementary Information
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