Name: 1-(4-bromo-2-fluorophenyl)-2-chloroethanone
SMILES:
O=C(CCl)c1ccc(Br)cc1FMolecular Processing
Molecular formula
C8H5BrClFO
Molecular weight
251.48
Exact mass
249.9196
XLogP
3.01
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
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
49.15
Supplementary Information
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