Название: (S)-3,5-difluoromandelic acid
SMILES:
O=C(O)[C@@H](O)c1cc(F)cc(F)c1Molecular Processing
Molecular formula
C8H6F2O3
Molecular weight
188.13
Exact mass
188.0285
XLogP
1.08
TPSA
57.53
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
38.95
Supplementary Information
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