5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile


Chemical Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
CAS Number: 1190317-45-3
Product Number: AG000HRH(AGN-PC-09RUVH)
Synonyms:
MDL No:
Molecular Formula: C8H4BrN3
Molecular Weight: 222.0415

Identification/Properties


Computed Properties
Molecular Weight:
222.045g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
220.959g/mol
Monoisotopic Mass:
220.959g/mol
Topological Polar Surface Area:
52.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
222
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

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NMR Spectrum


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