SMILES:
Fc1ccc2c(c1)CC(CBr)O2Molecular Processing
Molecular formula
C9H8BrFO
Molecular weight
231.06
Exact mass
229.9743
XLogP
2.52
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
48.31
Supplementary Information
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