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


Chemical Name: 1H-Pyrazolo[3,4-d]pyrimidine, 3-bromo-4-chloro-
CAS Number: 90914-41-3
Product Number: AG003J1C(AGN-PC-0OMHV2)
Synonyms:
MDL No: MFCD08276165
Molecular Formula: C5H2BrClN4
Molecular Weight: 233.4532

Identification/Properties


Properties
MP:
181-183°C
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
233.453g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
231.915g/mol
Monoisotopic Mass:
231.915g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
157
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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