SMILES:
O=C1OC(Br)c2ccccc21Molecular Processing
Molecular formula
C8H5BrO2
Molecular weight
213.03
Exact mass
211.9473
XLogP
2.25
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
11
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
0.125
Molar refractivity
43.53
Supplementary Information
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