CCOC(=O)C1=C(C2=C(O1)C=CC=C2OS(=O)(=O)C(F)(F)F)C
Nom: ethyl 3-methyl-4-(trifluoromethylsulfonyloxy)-1-benzofuran-2-carboxylate
SMILES: CCOC(=O)C1=C(C2=C(O1)C=CC=C2OS(=O)(=O)C(F)(F)F)C

Molecular Processing

Molecular formula
C13H11F3O6S
Molecular weight
352.29
Exact mass
352.0228
XLogP
3.15
TPSA
82.81
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
72.51

Supplementary Information

InChIKey: AFOYILUJYYJPPP-UHFFFAOYSA-N
Synonymes
3-methyl-4-trifluoromethanesulfonyloxy-benzofuran-2-carboxylic acid ethyl esterSCHEMBL3602038
Voir la source →
Impliqué dans 11 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→