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858839-90-4 | 4-Iodopyridin-2(1H);-one
CAS No: 858839-90-4 Catalog No: AG004WVK MDL No:MFCD09702419
Product Description
Catalog Number:
AG004WVK
Chemical Name:
4-Iodopyridin-2(1H);-one
CAS Number:
858839-90-4
Molecular Formula:
C5H4INO
Molecular Weight:
220.9958
MDL Number:
MFCD09702419
IUPAC Name:
4-iodo-1H-pyridin-2-one
InChI:
InChI=1S/C5H4INO/c6-4-1-2-7-5(8)3-4/h1-3H,(H,7,8)
InChI Key:
POHJRJNCZQENQG-UHFFFAOYSA-N
SMILES:
Ic1cc[nH]c(=O)c1
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:
1
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:
0.4
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