COc1ccc(S(=O)(=O)Cl)cc1C(C)(C)C
Name: 3-tert-butyl-4-methoxybenzene-1-sulfonyl chloride
SMILES: COc1ccc(S(=O)(=O)Cl)cc1C(C)(C)C

Molecular Processing

Molecular formula
C11H15ClO3S
Molecular weight
262.76
Exact mass
262.043
XLogP
2.92
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
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
0.455
Molar refractivity
64.73

Supplementary Information

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