N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,2-trifluoroacetamide


Chemical Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,2-trifluoroacetamide
CAS Number: 129476-61-5
Product Number: AG000Z5M(AGN-PC-0JSNEE)
Synonyms:
MDL No: MFCD00574858
Molecular Formula: C13H12F3N3O2
Molecular Weight: 299.2485

Identification/Properties


Properties
Storage:
2-8℃;
Computed Properties
Molecular Weight:
299.253g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
299.088g/mol
Monoisotopic Mass:
299.088g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
482
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H320-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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