이름: β-chloroethyltoluenesulfonate
SMILES:
Cc1ccccc1S(=O)(=O)OCCClMolecular Processing
Molecular formula
C9H11ClO3S
Molecular weight
234.7
Exact mass
234.0117
XLogP
1.94
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
55.04
Supplementary Information
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