tert-butyl 3-iodopyrrolo[2,3-c]pyridine-1-carboxylate


Chemical Name: tert-butyl 3-iodopyrrolo[2,3-c]pyridine-1-carboxylate
CAS Number: 1174038-59-5
Product Number: AG000E99(AGN-PC-07BXLD)
Synonyms:
MDL No:
Molecular Formula: C12H13IN2O2
Molecular Weight: 344.1483

Identification/Properties


Computed Properties
Molecular Weight:
344.152g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
344.002g/mol
Monoisotopic Mass:
344.002g/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#:
-
Hazard Statements:
H302-H317
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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