Name: 4-(3-Bromo-4-methoxy-phenyl)-4-methyl-3-oxo-pentanoic acid ethyl ester
SMILES:
CCOC(=O)CC(=O)C(C)(C)c1ccc(OC)c(Br)c1Molecular Processing
Molecular formula
C15H19BrO4
Molecular weight
343.22
Exact mass
342.0467
XLogP
3.26
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
20
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
0.467
Molar refractivity
79.98
Supplementary Information
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