SMILES:
OCC(Br)c1ccccc1Molecular Processing
Molecular formula
C8H9BrO
Molecular weight
201.06
Exact mass
199.9837
XLogP
2.11
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
45.2
Supplementary Information
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