SMILES:
CCOC(=O)CC(=O)c1ccc(Br)cc1Molecular Processing
Molecular formula
C11H11BrO3
Molecular weight
271.11
Exact mass
269.9892
XLogP
2.59
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
15
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
0.273
Molar refractivity
59.72
Supplementary Information
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