الاسم: 2-(5-bromo-2-trifluoromethoxyphenyl)cyclopentane-1,3-dione
SMILES:
O=C1CCC(=O)C1c1cc(Br)ccc1OC(F)(F)FMolecular Processing
Molecular formula
C12H8BrF3O3
Molecular weight
337.09
Exact mass
335.9609
XLogP
3.36
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
62.81
Supplementary Information
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