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222737-72-6 | 4(1H)-Pyrimidinone, 2-ethoxy-5-iodo-
CAS No: 222737-72-6 Catalog No: AG007OYO MDL No:
Product Description
Catalog Number:
AG007OYO
Chemical Name:
4(1H)-Pyrimidinone, 2-ethoxy-5-iodo-
CAS Number:
222737-72-6
Molecular Formula:
C6H7IN2O2
Molecular Weight:
266.0365
IUPAC Name:
2-ethoxy-5-iodo-1H-pyrimidin-6-one
InChI:
InChI=1S/C6H7IN2O2/c1-2-11-6-8-3-4(7)5(10)9-6/h3H,2H2,1H3,(H,8,9,10)
InChI Key:
SLMNQJYDOGTWMJ-UHFFFAOYSA-N
SMILES:
CCOc1nc(=O)c(c[nH]1)I
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.955g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.038g/mol
Monoisotopic Mass:
265.955g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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