6-bromo-1H-pyrido[2,3-d]pyrimidin-4-one


Chemical Name: 6-bromo-1H-pyrido[2,3-d]pyrimidin-4-one
CAS Number: 155690-79-2
Product Number: AG001O3Z(AGN-PC-07HAZS)
Synonyms:
MDL No:
Molecular Formula: C7H4BrN3O
Molecular Weight: 226.0302

Identification/Properties


Computed Properties
Molecular Weight:
226.033g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
224.954g/mol
Monoisotopic Mass:
224.954g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
231
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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