Nombre: 5-iodo-benzo[b]thiophene-2-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1cc2cc(I)ccc2s1Molecular Processing
Molecular formula
C11H9IO2S
Molecular weight
332.16
Exact mass
331.9368
XLogP
3.68
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
70.5
Supplementary Information
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