tert-butyl 2-chloro-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate


Chemical Name: tert-butyl 2-chloro-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CAS Number: 1211581-47-3
Product Number: AG009HLU(AGN-PC-0H0YNA)
Synonyms:
MDL No:
Molecular Formula: C11H14ClN3O2
Molecular Weight: 255.7008

Identification/Properties


Computed Properties
Molecular Weight:
255.702g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
255.077g/mol
Monoisotopic Mass:
255.077g/mol
Topological Polar Surface Area:
55.3A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
306
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:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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