2-Pyrrolidinecarboxamide, N-(4-nitrophenyl)-, (2S)-


Chemical Name: 2-Pyrrolidinecarboxamide, N-(4-nitrophenyl)-, (2S)-
CAS Number: 7369-91-7
Product Number: AG008QBO(AGN-PC-0OHBR5)
Synonyms:
MDL No:
Molecular Formula: C11H14BrN3O3
Molecular Weight: 316.1512

Identification/Properties


Computed Properties
Molecular Weight:
235.243g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
235.096g/mol
Monoisotopic Mass:
235.096g/mol
Topological Polar Surface Area:
87A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
295
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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#:
N/A
Hazard Statements:
-
Precautionary Statements:
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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