Nombre: 1-bromo-4-(4-bromophenyl)-3-(4-methoxyphenyl)butan-2-one
SMILES:
COc1ccc(C(Cc2ccc(Br)cc2)C(=O)CBr)cc1Molecular Processing
Molecular formula
C17H16Br2O2
Molecular weight
412.12
Exact mass
409.9517
XLogP
4.75
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
92.38
Supplementary Information
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