1H-Pyrazole-4-carbonylchloride, 1-(4-nitrophenyl)-5-(trifluoromethyl)-


Chemical Name: 1H-Pyrazole-4-carbonylchloride, 1-(4-nitrophenyl)-5-(trifluoromethyl)-
CAS Number: 175137-36-7
Product Number: AG0020BZ(AGN-PC-0KKX2H)
Synonyms:
MDL No:
Molecular Formula: C11H5ClF3N3O3
Molecular Weight: 319.6239

Identification/Properties


Computed Properties
Molecular Weight:
319.624g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
2
Exact Mass:
318.997g/mol
Monoisotopic Mass:
318.997g/mol
Topological Polar Surface Area:
80.7A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
421
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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