Name: 1-(3-bromophenyl)-2,2,2-trifluoroethanone
SMILES:
O=C(c1cccc(Br)c1)C(F)(F)FMolecular Processing
Molecular formula
C8H4BrF3O
Molecular weight
253.02
Exact mass
251.9398
XLogP
3.19
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
44.53
Supplementary Information
Details werden geladen…
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