Name: 3-Bromobicyclo[4.2.0]octa-1,3,5-triene-7-one
SMILES:
O=C1Cc2cc(Br)ccc21Molecular Processing
Molecular formula
C8H5BrO
Molecular weight
197.03
Exact mass
195.9524
XLogP
2.19
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
10
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
42.18
Supplementary Information
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