Benzamide, N-[1-(2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]-4-nitro-


Chemical Name: Benzamide, N-[1-(2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]-4-nitro-
CAS Number: 890764-63-3
Product Number: AG0040XX(AGN-PC-00CX1O)
Synonyms:
MDL No: MFCD12828761
Molecular Formula: C22H15FN4O3
Molecular Weight: 402.3779

Identification/Properties


Computed Properties
Molecular Weight:
402.385g/mol
XLogP3:
4.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
402.113g/mol
Monoisotopic Mass:
402.113g/mol
Topological Polar Surface Area:
92.7A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
602
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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