CCC1=CC2=CC(=CC(=C2O1)I)S(=O)(=O)C
CAS: 1706753-94-7
Nom: 2-ethyl-7-iodo-5-methylsulfonyl-1-benzofuran
SMILES: CCC1=CC2=CC(=CC(=C2O1)I)S(=O)(=O)C

Molecular Processing

Molecular formula
C11H11IO3S
Molecular weight
350.18
Exact mass
349.9474
XLogP
3
TPSA
47.28
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
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
0.273
Molar refractivity
71.42

Supplementary Information

InChIKey: UDUOAJHWQKMKHR-UHFFFAOYSA-N
Synonymes
SCHEMBL16651154UDUOAJHWQKMKHR-UHFFFAOYSA-NDB-2033642-Ethyl-7-iodo-5-(methylsulfonyl)benzofuran2-ethyl-7-iodo-5-methylsulfonyl-1-benzofuran1706753-94-7
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Impliqué dans 4 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→