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19025-68-4

19025-68-4 | 2,4(1H,3H)-Pyrimidinedione, 6-chloro-3-methyl-1-(2-propen-1-yl)-5-propyl-

CAS No: 19025-68-4 Catalog No: AG002EFR MDL No:

Product Description

Catalog Number:
AG002EFR
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-chloro-3-methyl-1-(2-propen-1-yl)-5-propyl-
CAS Number:
19025-68-4
Molecular Formula:
C11H15ClN2O2
Molecular Weight:
242.7020
IUPAC Name:
6-chloro-3-methyl-1-prop-2-enyl-5-propylpyrimidine-2,4-dione
InChI:
InChI=1S/C11H15ClN2O2/c1-4-6-8-9(12)14(7-5-2)11(16)13(3)10(8)15/h5H,2,4,6-7H2,1,3H3
InChI Key:
AYANZKYPCIEPLH-UHFFFAOYSA-N
SMILES:
CCCc1c(Cl)n(CC=C)c(=O)n(c1=O)C

Properties

Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.082g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.703g/mol
Monoisotopic Mass:
242.082g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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