이름: 2-(2-chloroethyl)-toluene-4-sulfonate
SMILES:
Cc1ccc(S(=O)(=O)[O-])cc1CCClMolecular Processing
Molecular formula
C9H10ClO3S-
Molecular weight
233.7
Exact mass
233.0045
XLogP
1.68
TPSA
57.2
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
53.57
Supplementary Information
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