ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate


Chemical Name: ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CAS Number: 144927-57-1
Product Number: AG001KDG(AGN-PC-0N6LUA)
Synonyms:
MDL No:
Molecular Formula: C9H8ClN3O2
Molecular Weight: 225.6317

Identification/Properties


Computed Properties
Molecular Weight:
225.632g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
225.031g/mol
Monoisotopic Mass:
225.031g/mol
Topological Polar Surface Area:
67.9A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
252
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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