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303996-62-5

303996-62-5 structural image
Product Name: 1-(4-CHLOROPHENYL)-3-(DIMETHYLAMINO)-2-(1H-1,2,4-TRIAZOL-1-YL)-2-PROPEN-1-ONE
Formula: C13H13ClN4O
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COMPUTED DESCRIPTORS

Molecular Weight 276.72 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 276.0777887 g/mol
Monoisotopic Mass 276.0777887 g/mol
Topological Polar Surface Area 51 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 351
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes