Name: methyl 4-bromo-2-(isopropylsulfonyl)benzoate
SMILES:
COC(=O)c1ccc(Br)cc1S(=O)(=O)C(C)CMolecular Processing
Molecular formula
C11H13BrO4S
Molecular weight
321.19
Exact mass
319.9718
XLogP
2.42
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
67.8
Supplementary Information
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