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


Chemical Name: tert-butyl 2,4-dichloro-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CAS Number: 903129-71-5
Product Number: AG0034BT(AGN-PC-01NOOH)
Synonyms:
MDL No: MFCD08273919
Molecular Formula: C11H13Cl2N3O2
Molecular Weight: 290.1458

Identification/Properties


Properties
BP:
405.8°C at 760 mmHg
Storage:
2-8℃;Inert atmosphere;
Form:
Solid
Computed Properties
Molecular Weight:
290.144g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
289.038g/mol
Monoisotopic Mass:
289.038g/mol
Topological Polar Surface Area:
55.3A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
335
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#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


PNMR/TERT-BUTYL_24-DICHLORO-5H-PYRROLO34-DPYRIMIDINE-67H-CARBOXYLATE-903129-71-5-hnmr.pdf

Other Analytical Data


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