tert-butyl 4-[(3,5-dibromophenoxy)methyl]piperidine-1-carboxylate


Chemical Name: tert-butyl 4-[(3,5-dibromophenoxy)methyl]piperidine-1-carboxylate
CAS Number: 1257665-16-9
Product Number: AG000OO1(AGN-PC-09PZI9)
Synonyms:
MDL No:
Molecular Formula: C17H23Br2NO3
Molecular Weight: 449.1774

Identification/Properties


Computed Properties
Molecular Weight:
449.183g/mol
XLogP3:
4.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
449.002g/mol
Monoisotopic Mass:
447.004g/mol
Topological Polar Surface Area:
38.8A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
382
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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