Name: 2-(3,4-Dichloro-phenyl)-4-oxo-butyric acid methyl ester
SMILES:
COC(=O)C(CC=O)c1ccc(Cl)c(Cl)c1Molecular Processing
Molecular formula
C11H10Cl2O3
Molecular weight
261.1
Exact mass
260.0007
XLogP
2.84
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
61.9
Supplementary Information
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