SMILES:
O=c1ccc2cc(OCCBr)ccc2o1Molecular Processing
Molecular formula
C11H9BrO3
Molecular weight
269.09
Exact mass
267.9735
XLogP
2.57
TPSA
39.44
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
61.77
Supplementary Information
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