Название: 3-cyano-1,1,1-trifluoroprop-2-en-2-yl 4-methylbenzenesulfonate
SMILES:
Cc1ccc(S(=O)(=O)OC(=CC#N)C(F)(F)F)cc1Molecular Processing
Molecular formula
C11H8F3NO3S
Molecular weight
291.25
Exact mass
291.0177
XLogP
2.67
TPSA
67.16
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
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
0.182
Molar refractivity
59.2
Supplementary Information
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