Name: 5′-bromo-3′-chloro-2′-hydroxyacetophenone
SMILES:
CC(=O)c1cc(Br)cc(Cl)c1OMolecular Processing
Molecular formula
C8H6BrClO2
Molecular weight
249.49
Exact mass
247.924
XLogP
3.01
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
50.82
Supplementary Information
Details werden geladen…
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