Free Chemical Databases
-
[Synonyms]
NSC174180
69995-94-4
[Structure]
[ Properties Computed from Structure]
Molecular Weight 239.86888 [g/mol] Molecular Formula C4H2Cl4O3 XLogP 2 H-Bond Donor 0 H-Bond Acceptor 3 Rotatable Bond Count 3 Exact Mass 239.872855 MonoIsotopic Mass 237.875805 Topological Polar Surface Area 43.4 Heavy Atom Count 11 Formal Charge 0 Complexity 173 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: (2-chloroacetyl) 2,2,2-trichloroacetate
Canonical SMILES: C(C(=O)OC(=O)C(Cl)(Cl)Cl)Cl
InChI: InChI=1/C4H2Cl4O3/c5-1-2(9)11-3(10)4(6,7)8/h1H2
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