CC(C)(C)C(=O)c1ccc(CBr)cc1
SMILES: CC(C)(C)C(=O)c1ccc(CBr)cc1

Molecular Processing

Molecular formula
C12H15BrO
Molecular weight
255.15
Exact mass
254.0306
XLogP
3.81
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
62.86

Supplementary Information

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