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19025-69-5 | 2,4(1H,3H)-Pyrimidinedione, 6-chloro-3-ethyl-1-(2-propen-1-yl)-5-propyl-
CAS No: 19025-69-5 Catalog No: AG002EFQ MDL No:
Product Description
Catalog Number:
AG002EFQ
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-chloro-3-ethyl-1-(2-propen-1-yl)-5-propyl-
CAS Number:
19025-69-5
Molecular Formula:
C12H17ClN2O2
Molecular Weight:
256.7286
IUPAC Name:
6-chloro-3-ethyl-1-prop-2-enyl-5-propylpyrimidine-2,4-dione
InChI:
InChI=1S/C12H17ClN2O2/c1-4-7-9-10(13)15(8-5-2)12(17)14(6-3)11(9)16/h5H,2,4,6-8H2,1,3H3
InChI Key:
DJFXRHQBEIYPCR-UHFFFAOYSA-N
SMILES:
CCCc1c(Cl)n(CC=C)c(=O)n(c1=O)CC
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.73g/mol
Monoisotopic Mass:
256.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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