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1414357-61-1 | 1H-Pyrazolo[3,4-d]pyrimidine, 3-iodo-
CAS No: 1414357-61-1 Catalog No: AG001GDM MDL No:
Product Description
Catalog Number:
AG001GDM
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidine, 3-iodo-
CAS Number:
1414357-61-1
Molecular Formula:
C5H3IN4
Molecular Weight:
246.0086
IUPAC Name:
3-iodo-2H-pyrazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C5H3IN4/c6-4-3-1-7-2-8-5(3)10-9-4/h1-2H,(H,7,8,9,10)
InChI Key:
LUSJXEMIZFYDSZ-UHFFFAOYSA-N
SMILES:
Ic1n[nH]c2c1cncn2
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.94g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.011g/mol
Monoisotopic Mass:
245.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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