SMILES:
Oc1ccc(Br)cc1OC1CC1Molecular Processing
Molecular formula
C9H9BrO2
Molecular weight
229.07
Exact mass
227.9786
XLogP
2.7
TPSA
29.46
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
49.46
Supplementary Information
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