tert-Butyl 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine-7-carboxylate


Chemical Name: tert-Butyl 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine-7-carboxylate
CAS Number: 1202864-54-7
Product Number: AG0099RN(AGN-PC-0WAGL7)
Synonyms:
MDL No:
Molecular Formula: C11H11BrClN3O2
Molecular Weight: 332.5809

Identification/Properties


Computed Properties
Molecular Weight:
332.582g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
330.972g/mol
Monoisotopic Mass:
330.972g/mol
Topological Polar Surface Area:
57A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
337
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

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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