Название: 1-bromo-4-[3-(perfluoro-n-octyl)phenoxy]but-2-ene
SMILES:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cccc(OCC=CCBr)c1Molecular Processing
Molecular formula
C18H10BrF17O
Molecular weight
645.15
Exact mass
643.9644
XLogP
8.48
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
11
Heavy atoms
37
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
19
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
94.5
Supplementary Information
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