COc1ccc(CC(C)=O)cc1S(=O)(=O)Cl
Name: 3-chlorosulfonyl-4-methoxyphenylacetone
SMILES: COc1ccc(CC(C)=O)cc1S(=O)(=O)Cl

Molecular Processing

Molecular formula
C10H11ClO4S
Molecular weight
262.71
Exact mass
262.0067
XLogP
1.75
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
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
60.42

Supplementary Information

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