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321522-07-0

321522-07-0 structural image
Product Name: ETHYL 5-(4-CHLOROPHENYL)-4,6-DIOXO-1,3A,4,5,6,6A-HEXAHYDROPYRROLO[3,4-C]PYRAZOLE-3-CARBOXYLATE
Formula: C14H12ClN3O4
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COMPUTED DESCRIPTORS

Molecular Weight 321.71 g/mol
XLogP3 2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 321.0516336 g/mol
Monoisotopic Mass 321.0516336 g/mol
Topological Polar Surface Area 88.1 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 542
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes