Name: 4-(tert-butoxycarbonylamino)-2,6-dichlorophenyl trifluoromethanesulfonate
SMILES:
CC(C)(C)OC(=O)Nc1cc(Cl)c(OS(=O)(=O)C(F)(F)F)c(Cl)c1Molecular Processing
Molecular formula
C12H12Cl2F3NO5S
Molecular weight
410.2
Exact mass
408.9765
XLogP
4.57
TPSA
81.7
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
81.92
Supplementary Information
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