CAS
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Specification
The molecular formula is C10H8ClFO3.
It was created on February 29, 2008.
The IUPAC Name is ethyl 2-(2-chloro-4-fluorophenyl)-2-oxoacetate.
The Canonical SMILES is CCOC(=O)C(=O)C1=C(C=C(C=C1)F)Cl.
The molecular weight is 230.62 g/mol.
It has 4 hydrogen bond acceptors.
The topological polar surface area is 43.4 Ų.
Yes, it is canonicalized.
The XLogP3-AA value is 2.8.
It has 4 rotatable bonds.