O=C(O)c1ccc(OC(F)(F)F)cc1F
Name: 2-Fluoro-4-trifluoromethoxybenzoic acid
SMILES: O=C(O)c1ccc(OC(F)(F)F)cc1F

Molecular Processing

Molecular formula
C8H4F4O3
Molecular weight
224.11
Exact mass
224.0097
XLogP
2.42
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
40.04

Supplementary Information

Details werden geladen…

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