SMILES:
COC(=O)C1=Cc2cc(Br)ccc2OCC1Molecular Processing
Molecular formula
C12H11BrO3
Molecular weight
283.12
Exact mass
281.9892
XLogP
2.79
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
64.25
Supplementary Information
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