Name: 4-(trifluoromethoxy)benzoic acid
SMILES:
O=C(O)c1ccc(OC(F)(F)F)cc1Molecular Processing
Molecular formula
C8H5F3O3
Molecular weight
206.12
Exact mass
206.0191
XLogP
2.28
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
40.08
Supplementary Information
Details werden geladen…
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