이름: ethyl (2-fluoro-4-chloro-phenyl)malonate
SMILES:
CCOC(=O)C(C(=O)[O-])c1ccc(Cl)cc1FMolecular Processing
Molecular formula
C11H9ClFO4-
Molecular weight
259.64
Exact mass
259.0179
XLogP
0.88
TPSA
66.43
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
-1
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
55.79
Supplementary Information
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