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959572-95-3

959572-95-3 structural image
Product Name: ETHYL 3-(TERT-BUTYL)-1-(3-NITRO-2-PYRIDINYL)-1H-PYRAZOLE-5-CARBOXYLATE
Formula: C15H18N4O4
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COMPUTED DESCRIPTORS

Molecular Weight 318.33 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 318.13280507 g/mol
Monoisotopic Mass 318.13280507 g/mol
Topological Polar Surface Area 103 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 446
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
Compound Is Canonicalized Yes