1H-Pyrazole-4-carboxylicacid, 1-(4-phenyl-2-thiazolyl)-5-(trifluoromethyl)-


Chemical Name: 1H-Pyrazole-4-carboxylicacid, 1-(4-phenyl-2-thiazolyl)-5-(trifluoromethyl)-
CAS Number: 159885-80-0
Product Number: AG001RHH(AGN-PC-0KKXIY)
Synonyms:
MDL No:
Molecular Formula: C14H8F3N3O2S
Molecular Weight: 339.2924

Identification/Properties


Computed Properties
Molecular Weight:
339.292g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
3
Exact Mass:
339.029g/mol
Monoisotopic Mass:
339.029g/mol
Topological Polar Surface Area:
96.2A^2
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

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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