Nom: 1-bromo-4-chloro-1-[4-(4-chlorophenyl)-phenoxy]-3,3-dimethyl-butan-2-one
SMILES:
CC(C)(CCl)C(=O)C(Br)Oc1ccc(-c2ccc(Cl)cc2)cc1Molecular Processing
Molecular formula
C18H17BrCl2O2
Molecular weight
416.14
Exact mass
413.9789
XLogP
5.94
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
99.74
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→