SMILES:
CCOC(=O)C=Cc1cccc(Br)c1Molecular Processing
Molecular formula
C11H11BrO2
Molecular weight
255.11
Exact mass
253.9942
XLogP
3.03
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
59.81
Supplementary Information
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