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141602-28-0 | 4(3H)-Pyrimidinone, 6-ethyl-5-iodo-
CAS No: 141602-28-0 Catalog No: AG001GO5 MDL No:MFCD21649129
Product Description
Catalog Number:
AG001GO5
Chemical Name:
4(3H)-Pyrimidinone, 6-ethyl-5-iodo-
CAS Number:
141602-28-0
Molecular Formula:
C6H7IN2O
Molecular Weight:
250.0370
MDL Number:
MFCD21649129
IUPAC Name:
4-ethyl-5-iodo-1H-pyrimidin-6-one
InChI:
InChI=1S/C6H7IN2O/c1-2-4-5(7)6(10)9-3-8-4/h3H,2H2,1H3,(H,8,9,10)
InChI Key:
AMRSAYAQNYIFOO-UHFFFAOYSA-N
SMILES:
CCc1nc[nH]c(=O)c1I
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.96g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.039g/mol
Monoisotopic Mass:
249.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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