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151266-23-8 | 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-iodo-
CAS No: 151266-23-8 Catalog No: AG001N72 MDL No:MFCD03787931
Product Description
Catalog Number:
AG001N72
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-iodo-
CAS Number:
151266-23-8
Molecular Formula:
C5H4IN5
Molecular Weight:
261.0232
MDL Number:
MFCD03787931
IUPAC Name:
3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine
InChI:
InChI=1S/C5H4IN5/c6-3-2-4(7)8-1-9-5(2)11-10-3/h1H,(H3,7,8,9,10,11)
InChI Key:
HQAIUXZORKJOJY-UHFFFAOYSA-N
SMILES:
Nc1ncnc2c1c(I)n[nH]2
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.951g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.026g/mol
Monoisotopic Mass:
260.951g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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