COc1c(I)ccc2oc(C(=O)OC(C)(C)C)c(C)c12
Nombre: tert-butyl 5-iodo-4-methoxy-3-methyl-1-benzofuran-2-carboxylate
SMILES: COc1c(I)ccc2oc(C(=O)OC(C)(C)C)c(C)c12

Molecular Processing

Molecular formula
C15H17IO4
Molecular weight
388.2
Exact mass
388.0172
XLogP
4.31
TPSA
48.67
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
85.39

Supplementary Information

InChIKey: RIBYRAYFVQQJLT-UHFFFAOYSA-N
Sinónimos
SCHEMBL3617021RIBYRAYFVQQJLT-UHFFFAOYSA-N5-iodo-4-methoxy-3-methyl-benzofuran-2-carboxylic acid tert-butyl ester
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