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79387-69-2 | 5-Iodopyrimidin-2(1H);-one
CAS No: 79387-69-2 Catalog No: AG003HET MDL No:MFCD09744044
Product Description
Catalog Number:
AG003HET
Chemical Name:
5-Iodopyrimidin-2(1H);-one
CAS Number:
79387-69-2
Molecular Formula:
C4H3IN2O
Molecular Weight:
221.9839
MDL Number:
MFCD09744044
IUPAC Name:
5-iodo-1H-pyrimidin-2-one
InChI:
InChI=1S/C4H3IN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)
InChI Key:
PVHCYDBPRLPQMP-UHFFFAOYSA-N
SMILES:
Ic1cnc(=O)[nH]c1
NSC Number:
754229
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.929g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.985g/mol
Monoisotopic Mass:
221.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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