Name: sodium 5-bromo-2-methoxybenzenesulfinate
SMILES:
COc1ccc(Br)cc1S(=O)[O-].[Na+]Molecular Processing
Molecular formula
C7H6BrNaO3S
Molecular weight
273.08
Exact mass
271.9119
XLogP
-1.3
TPSA
49.36
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.143
Molar refractivity
47.88
Supplementary Information
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