SMILES:
OCC(F)(F)C(O)c1cc(Br)ccc1FMolecular Processing
Molecular formula
C9H8BrF3O2
Molecular weight
285.06
Exact mass
283.966
XLogP
2.25
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
51.09
Supplementary Information
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