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139593-10-5 | 2,4(1H,3H)-Pyrimidinedione, 3-[[2-(2-chloroethoxy)ethoxy]methyl]-5-fluoro-
CAS No: 139593-10-5 Catalog No: AG001BC7 MDL No:
Product Description
Catalog Number:
AG001BC7
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 3-[[2-(2-chloroethoxy)ethoxy]methyl]-5-fluoro-
CAS Number:
139593-10-5
Molecular Formula:
C9H12ClFN2O4
Molecular Weight:
266.6540
IUPAC Name:
1-[2-(2-chloroethoxy)ethoxymethyl]-5-fluoropyrimidine-2,4-dione
InChI:
InChI=1S/C9H12ClFN2O4/c10-1-2-16-3-4-17-6-13-5-7(11)8(14)12-9(13)15/h5H,1-4,6H2,(H,12,14,15)
InChI Key:
HVCHQELPHFNPLP-UHFFFAOYSA-N
SMILES:
ClCCOCCOCn1c(=O)[nH]cc(c1=O)F
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.653g/mol
Monoisotopic Mass:
266.047g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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