이름: methyl 4-bromo-2-(1,1-dioxoisothiazolidin-2-yl)benzoate
SMILES:
COC(=O)c1ccc(Br)cc1N1CCCS1(=O)=OMolecular Processing
Molecular formula
C11H12BrNO4S
Molecular weight
334.19
Exact mass
332.967
XLogP
1.78
TPSA
63.68
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
71.23
Supplementary Information
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