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89282-02-0 | 4-Pyridinol, 2-iodo-
CAS No: 89282-02-0 Catalog No: AG0040R2 MDL No:
Product Description
Catalog Number:
AG0040R2
Chemical Name:
4-Pyridinol, 2-iodo-
CAS Number:
89282-02-0
Molecular Formula:
C5H4INO
Molecular Weight:
220.9958
IUPAC Name:
2-iodo-1H-pyridin-4-one
InChI:
InChI=1S/C5H4INO/c6-5-3-4(8)1-2-7-5/h1-3H,(H,7,8)
InChI Key:
JHPRRMHLPVYHPC-UHFFFAOYSA-N
SMILES:
Oc1ccnc(c1)I
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.934g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.997g/mol
Monoisotopic Mass:
220.934g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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