Name: 1-bromo-1-phenyl-3,3-dimethyl-butan-2-one
SMILES:
CC(C)(C)C(=O)C(Br)c1ccccc1Molecular Processing
Molecular formula
C12H15BrO
Molecular weight
255.16
Exact mass
254.0306
XLogP
3.74
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
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
62.57
Supplementary Information
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Involved in 3 reactions→