4-Bromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one


Chemical Name: 4-Bromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
CAS Number: 1086064-49-4
Product Number: AG007C6F(AGN-PC-07HAWT)
Synonyms:
MDL No:
Molecular Formula: C7H5BrN2O
Molecular Weight: 213.0314

Identification/Properties


Computed Properties
Molecular Weight:
213.034g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
211.959g/mol
Monoisotopic Mass:
211.959g/mol
Topological Polar Surface Area:
42A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
185
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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