FC(F)(F)COc1cccnc1Br
SMILES: FC(F)(F)COc1cccnc1Br

Molecular Processing

Molecular formula
C7H5BrF3NO
Molecular weight
256.02
Exact mass
254.9507
XLogP
2.79
TPSA
22.12
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
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
0.286
Molar refractivity
43.49

Supplementary Information

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