Name: 2-chlorobenzenesulfonic acid 3-hydroxy-5-carbomethoxyphenyl ester
SMILES:
COC(=O)c1cc(O)cc(OS(=O)(=O)c2ccccc2Cl)c1Molecular Processing
Molecular formula
C14H11ClO6S
Molecular weight
342.76
Exact mass
341.9965
XLogP
2.6
TPSA
89.9
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
78.71
Supplementary Information
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