이름: 1-(6-chloropyridin-3-yl)-2,2,2-trifluoroethyl trifluoromethanesulfonate
SMILES:
O=S(=O)(OC(c1ccc(Cl)nc1)C(F)(F)F)C(F)(F)FMolecular Processing
Molecular formula
C8H4ClF6NO3S
Molecular weight
343.63
Exact mass
342.9505
XLogP
3.2
TPSA
56.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
54.1
Supplementary Information
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