SMILES:
COC(=O)c1ccc(O)c(Br)c1Molecular Processing
Molecular formula
C8H7BrO3
Molecular weight
231.04
Exact mass
229.9579
XLogP
1.94
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
47.15
Supplementary Information
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