SMILES:
COCOc1ccc(Br)cc1Molecular Processing
Molecular formula
C8H9BrO2
Molecular weight
217.06
Exact mass
215.9786
XLogP
2.43
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
11
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
0.25
Molar refractivity
46.65
Supplementary Information
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