CC(=O)c1cc(Br)cc(F)c1O
SMILES: CC(=O)c1cc(Br)cc(F)c1O

Molecular Processing

Molecular formula
C8H6BrFO2
Molecular weight
233.04
Exact mass
231.9535
XLogP
2.5
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
45.77

Supplementary Information

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