Name: 2-(2-chloro-5-methoxy-phenoxy)-malonic acid dimethyl ester
SMILES:
COC(=O)C(Oc1cc(OC)ccc1Cl)C(=O)OCMolecular Processing
Molecular formula
C12H13ClO6
Molecular weight
288.68
Exact mass
288.0401
XLogP
1.44
TPSA
71.06
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
66.45
Supplementary Information
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