Free Chemical Databases
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[Synonyms]
NSC525654
[Structure]
[ Properties Computed from Structure]
Molecular Weight 288.47266 [g/mol] Molecular Formula C6H4Cl3N3O4 XLogP 0.5 H-Bond Donor 4 H-Bond Acceptor 4 Rotatable Bond Count 1 Tautomer Count 10 Exact Mass 286.926739 MonoIsotopic Mass 286.926739 Topological Polar Surface Area 108 Heavy Atom Count 16 Formal Charge 0 Complexity 400 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: 2,2,2-trichloro-N-(4-hydroxy-2,6-dioxo-3H-pyrimidin-5-yl)acetamide
Canonical SMILES: C1(=C(NC(=O)NC1=O)O)NC(=O)C(Cl)(Cl)Cl
InChI: InChI=1/C6H4Cl3N3O4/c7-6(8,9)4(15)10-1-2(13)11-5(16)12-3(1)14/h(H,10,
15)(H3,11,12,13,14,16)/f/h10-13H
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