이름: 3,4-difluorophenyl propionic acid
SMILES:
CC(C(=O)O)c1ccc(F)c(F)c1Molecular Processing
Molecular formula
C9H8F2O2
Molecular weight
186.16
Exact mass
186.0492
XLogP
2.15
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
42.41
Supplementary Information
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