3H-Pyrazol-3-one, 2,4-dihydro-5-(4-nitrophenyl)-2-phenyl-


Chemical Name: 3H-Pyrazol-3-one, 2,4-dihydro-5-(4-nitrophenyl)-2-phenyl-
CAS Number: 34320-83-7
Product Number: AG00C0WB(AGN-PC-0KKHKL)
Synonyms:
MDL No:
Molecular Formula: C15H11N3O3
Molecular Weight: 281.2661

Identification/Properties


Computed Properties
Molecular Weight:
281.271g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
281.08g/mol
Monoisotopic Mass:
281.08g/mol
Topological Polar Surface Area:
78.5A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
444
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

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NMR Spectrum


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