الاسم: diethyl 2-[2-(4-bromophenyl)-2-oxoethyl]-2-(2-phenylethyl)malonate
SMILES:
CCOC(=O)C(CCc1ccccc1)(CC(=O)c1ccc(Br)cc1)C(=O)OCCMolecular Processing
Molecular formula
C23H25BrO5
Molecular weight
461.35
Exact mass
460.0885
XLogP
4.77
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
113.55
Supplementary Information
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