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117007-52-0 | 1H-Pyrazolo[3,4-b]pyridine, 3-iodo-
CAS No: 117007-52-0 Catalog No: AG000DK1 MDL No:MFCD09749818
Product Description
Catalog Number:
AG000DK1
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine, 3-iodo-
CAS Number:
117007-52-0
Molecular Formula:
C6H4IN3
Molecular Weight:
245.0205
MDL Number:
MFCD09749818
IUPAC Name:
3-iodo-2H-pyrazolo[3,4-b]pyridine
InChI:
InChI=1S/C6H4IN3/c7-5-4-2-1-3-8-6(4)10-9-5/h1-3H,(H,8,9,10)
InChI Key:
TYXAGVKIICJXGF-UHFFFAOYSA-N
SMILES:
Ic1n[nH]c2c1cccn2
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.945g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.023g/mol
Monoisotopic Mass:
244.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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