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439121-24-1

439121-24-1 structural image
Product Name: 5-(2-CHLORO-6-FLUOROPHENYL)-4-(1H-1,2,4-TRIAZOL-1-YL)-1,3-CYCLOHEXANEDIONE
Formula: C14H11ClFN3O2
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COMPUTED DESCRIPTORS

Molecular Weight 307.71 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 307.0523825 g/mol
Monoisotopic Mass 307.0523825 g/mol
Topological Polar Surface Area 64.8 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 436
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