1H-Pyrazole-4-carboxylic acid, 1-(4-nitrophenyl)-5-(trifluoromethyl)-


Chemical Name: 1H-Pyrazole-4-carboxylic acid, 1-(4-nitrophenyl)-5-(trifluoromethyl)-
CAS Number: 142818-03-9
Product Number: AG003D0V(AGN-PC-0JUYPG)
Synonyms:
MDL No:
Molecular Formula: C11H6F3N3O4
Molecular Weight: 301.1782496

Identification/Properties


Properties
MP:
199-203℃
Form:
Solid
Computed Properties
Molecular Weight:
301.181g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
2
Exact Mass:
301.031g/mol
Monoisotopic Mass:
301.031g/mol
Topological Polar Surface Area:
101A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
418
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

Safety Information


NMR Spectrum


Other Analytical Data


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