이름: 4-bromo-3,5-dimethylphenyl trifluoromethanesulfonate
SMILES:
Cc1cc(OS(=O)(=O)C(F)(F)F)cc(C)c1BrMolecular Processing
Molecular formula
C9H8BrF3O3S
Molecular weight
333.12
Exact mass
331.933
XLogP
3.29
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
59.22
Supplementary Information
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