1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-6-(trifluoromethyl)-


Chemical Name: 1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-6-(trifluoromethyl)-
CAS Number: 1780-80-9
Product Number: AG0025PG(AGN-PC-0JOHK1)
Synonyms:
MDL No:
Molecular Formula: C6H2ClF3N4
Molecular Weight: 222.5551

Identification/Properties


Computed Properties
Molecular Weight:
222.555g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
0
Exact Mass:
221.992g/mol
Monoisotopic Mass:
221.992g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
224
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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