Name: 4-bromo-2-(isopropylsulfonyl)benzoic acid
SMILES:
CC(C)S(=O)(=O)c1cc(Br)ccc1C(=O)OMolecular Processing
Molecular formula
C10H11BrO4S
Molecular weight
307.17
Exact mass
305.9561
XLogP
2.33
TPSA
71.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
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
0.3
Molar refractivity
63.42
Supplementary Information
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