Name: 2-(4-bromo-3-fluorophenoxy)-5-iodonicotinic acid
SMILES:
O=C(O)c1cc(I)cnc1Oc1ccc(Br)c(F)c1Molecular Processing
Molecular formula
C12H6BrFINO3
Molecular weight
437.99
Exact mass
436.856
XLogP
4.08
TPSA
59.42
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0
Molar refractivity
78.09
Supplementary Information
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