tert-Butyl 4-(4-bromo-3-(difluoromethyl)-1H-pyrazol-1-yl)piperidine-1-carboxylate


Chemical Name: tert-Butyl 4-(4-bromo-3-(difluoromethyl)-1H-pyrazol-1-yl)piperidine-1-carboxylate
CAS Number: 1449117-47-8
Product Number: AG001KBN(AGN-PC-0WAGKD)
Synonyms:
MDL No:
Molecular Formula: C14H20BrF2N3O2
Molecular Weight: 380.2283

Identification/Properties


Computed Properties
Molecular Weight:
380.234g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
379.071g/mol
Monoisotopic Mass:
379.071g/mol
Topological Polar Surface Area:
47.4A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
398
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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