SMILES:
Fc1ccc(C2OCCO2)cc1BrMolecular Processing
Molecular formula
C9H8BrFO2
Molecular weight
247.06
Exact mass
245.9692
XLogP
2.63
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
48.75
Supplementary Information
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