SMILES:
Cc1cc(Br)c(C(=O)O)cc1IMolecular Processing
Molecular formula
C8H6BrIO2
Molecular weight
340.94
Exact mass
339.8596
XLogP
3.06
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
58.56
Supplementary Information
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