SMILES:
O=Cc1cc(Br)c2c(c1)CCO2Molecular Processing
Molecular formula
C9H7BrO2
Molecular weight
227.06
Exact mass
225.9629
XLogP
2.2
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
48.73
Supplementary Information
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