4-(4-Bromo-2-fluorophenylsulfonyl)piperazine-1-carboxylic acid tert-butyl ester


Chemical Name: 4-(4-Bromo-2-fluorophenylsulfonyl)piperazine-1-carboxylic acid tert-butyl ester
CAS Number: 937014-34-1
Product Number: AG01DTFR(AG01DTFR)
Synonyms:
MDL No:
Molecular Formula: C15H20BrFN2O4S
Molecular Weight: 423.2977

Identification/Properties


Computed Properties
Molecular Weight:
423.297g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
422.031g/mol
Monoisotopic Mass:
422.031g/mol
Topological Polar Surface Area:
75.3A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
553
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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