O=C(O)C1(c2ccc(Br)cc2)CC1
SMILES: O=C(O)C1(c2ccc(Br)cc2)CC1

Molecular Processing

Molecular formula
C10H9BrO2
Molecular weight
241.08
Exact mass
239.9786
XLogP
2.57
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
13
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
0.3
Molar refractivity
52.69

Supplementary Information

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