Name: 2-(2,4-Dichloro-benzoyl)-6-trifluoromethanesulfonyloxy-benzofuran-3-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(OS(=O)(=O)C(F)(F)F)ccc12Molecular Processing
Molecular formula
C19H11Cl2F3O7S
Molecular weight
511.26
Exact mass
509.9555
XLogP
5.38
TPSA
99.88
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
107.67
Supplementary Information
Details werden geladen…
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