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17902-24-8 | 2,4(1H,3H)-Pyrimidinedione, 5-chloro-1-(tetrahydro-2-furanyl)-
CAS No: 17902-24-8 Catalog No: AG0026OY MDL No:
Product Description
Catalog Number:
AG0026OY
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-chloro-1-(tetrahydro-2-furanyl)-
CAS Number:
17902-24-8
Molecular Formula:
C8H9ClN2O3
Molecular Weight:
216.6217
IUPAC Name:
5-chloro-1-(oxolan-2-yl)pyrimidine-2,4-dione
InChI:
InChI=1S/C8H9ClN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)
InChI Key:
ZQYSTBMUAVKGRN-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)n(cc1Cl)C1CCCO1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.621g/mol
Monoisotopic Mass:
216.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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