5-bromo-4-chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine


Chemical Name: 5-bromo-4-chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
CAS Number: 1111237-76-3
Product Number: AG007BHR(AGN-PC-0CXYP6)
Synonyms:
MDL No:
Molecular Formula: C7H5BrClN3
Molecular Weight: 246.4917

Identification/Properties


Computed Properties
Molecular Weight:
246.492g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
244.936g/mol
Monoisotopic Mass:
244.936g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
180
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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