SMILES:
O=C(CBr)c1ccc(OCCCCl)cc1Molecular Processing
Molecular formula
C11H12BrClO2
Molecular weight
291.57
Exact mass
289.9709
XLogP
3.27
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
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
0.364
Molar refractivity
65.4
Supplementary Information
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