CC1=CC(NC2=C1C=C(C=C2)OS(=O)(=O)C(F)(F)F)(C)C
Название: (2,2,4-trimethyl-1H-quinolin-6-yl) trifluoromethanesulfonate
SMILES: CC1=CC(NC2=C1C=C(C=C2)OS(=O)(=O)C(F)(F)F)(C)C

Molecular Processing

Molecular formula
C13H14F3NO3S
Molecular weight
321.32
Exact mass
321.0646
XLogP
3.52
TPSA
55.4
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
73.4

Supplementary Information

InChIKey: YXZUMZTZHBLHPT-UHFFFAOYSA-N
Синонимы
trifluoromethanesulfonic acid 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl esterSCHEMBL4704379
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