Name: product
SMILES:
COC(=O)c1ccc(Br)c2ccc(OS(C)(=O)=O)cc12Molecular Processing
Molecular formula
C13H11BrO5S
Molecular weight
359.2
Exact mass
357.9511
XLogP
2.73
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
78.46
Supplementary Information
Details werden geladen…
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