CC(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
名称: 2-Chloro-5-(propane-2-sulfonyl)-benzoic acid
SMILES: CC(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1

Molecular Processing

Molecular formula
C10H11ClO4S
Molecular weight
262.71
Exact mass
262.0067
XLogP
2.22
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
60.73

Supplementary Information

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