tert-butyl 4-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate


Chemical Name: tert-butyl 4-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate
CAS Number: 1449117-75-2
Product Number: AG001KCJ(AGN-PC-0HW7NV)
Synonyms:
MDL No:
Molecular Formula: C14H19BrF3N3O2
Molecular Weight: 398.2188

Identification/Properties


Computed Properties
Molecular Weight:
398.224g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
397.061g/mol
Monoisotopic Mass:
397.061g/mol
Topological Polar Surface Area:
47.4A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
434
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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