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1538809-19-6 | 5-iodo-2-(pentan-3-yl)-3,4-dihydropyrimidin-4-one
CAS No: 1538809-19-6 Catalog No: AG01EL9B MDL No:MFCD21746598
Product Description
Catalog Number:
AG01EL9B
Chemical Name:
5-iodo-2-(pentan-3-yl)-3,4-dihydropyrimidin-4-one
CAS Number:
1538809-19-6
Molecular Formula:
C9H13IN2O
Molecular Weight:
292.1168
MDL Number:
MFCD21746598
IUPAC Name:
5-iodo-2-pentan-3-yl-5H-pyrimidin-4-one
InChI:
InChI=1S/C9H13IN2O/c1-3-6(4-2)8-11-5-7(10)9(13)12-8/h5-7H,3-4H2,1-2H3
InChI Key:
LYCGBESJCHCJGZ-UHFFFAOYSA-N
SMILES:
CCC(c1ncc(c(=O)[nH]1)I)CC
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.007g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.12g/mol
Monoisotopic Mass:
292.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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