tert-butyl 3-bromopyrrolo[2,3-b]pyridine-1-carboxylate


Chemical Name: tert-butyl 3-bromopyrrolo[2,3-b]pyridine-1-carboxylate
CAS Number: 226085-17-2
Product Number: AG003E17(AGN-PC-03E5UB)
Synonyms:
MDL No: MFCD08689737
Molecular Formula: C12H13BrN2O2
Molecular Weight: 297.1478

Identification/Properties


Properties
BP:
376.7°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
297.152g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
296.016g/mol
Monoisotopic Mass:
296.016g/mol
Topological Polar Surface Area:
44.1A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
303
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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