SMILES:
COc1c(C=O)cc(Br)cc1C(F)(F)FMolecular Processing
Molecular formula
C9H6BrF3O2
Molecular weight
283.04
Exact mass
281.9503
XLogP
3.29
TPSA
26.3
H-bond donors
0
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
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
51.08
Supplementary Information
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