1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-1-methyl-


Chemical Name: 1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-1-methyl-
CAS Number: 23000-43-3
Product Number: AG002LTB(AGN-PC-0JN9RI)
Synonyms:
MDL No: MFCD00661967
Molecular Formula: C6H5ClN4
Molecular Weight: 168.5837

Identification/Properties


Properties
MP:
102-104 °C
BP:
294.6°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
168.584g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
168.02g/mol
Monoisotopic Mass:
168.02g/mol
Topological Polar Surface Area:
43.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
154
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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