Name: 2-bromo-4'-ethylpropiophenone
SMILES:
CCc1ccc(C(=O)C(C)Br)cc1Molecular Processing
Molecular formula
C11H13BrO
Molecular weight
241.13
Exact mass
240.015
XLogP
3.22
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
13
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
0.364
Molar refractivity
58.54
Supplementary Information
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