Name: 3′-chloropropiophenone
SMILES:
CCC(=O)c1cccc(Cl)c1Molecular Processing
Molecular formula
C9H9ClO
Molecular weight
168.62
Exact mass
168.0342
XLogP
2.93
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
11
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
0.222
Molar refractivity
46.07
Supplementary Information
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