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139593-08-1 | 2,4(1H,3H)-Pyrimidinedione, 3-[(2-chloroethoxy)methyl]-5-fluoro-
CAS No: 139593-08-1 Catalog No: AG001BC9 MDL No:
Product Description
Catalog Number:
AG001BC9
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 3-[(2-chloroethoxy)methyl]-5-fluoro-
CAS Number:
139593-08-1
Molecular Formula:
C7H8ClFN2O3
Molecular Weight:
222.6014
IUPAC Name:
1-(2-chloroethoxymethyl)-5-fluoropyrimidine-2,4-dione
InChI:
InChI=1S/C7H8ClFN2O3/c8-1-2-14-4-11-3-5(9)6(12)10-7(11)13/h3H,1-2,4H2,(H,10,12,13)
InChI Key:
CVBOLRYRLOKWSW-UHFFFAOYSA-N
SMILES:
ClCCOCn1c(=O)[nH]cc(c1=O)F
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.021g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.6g/mol
Monoisotopic Mass:
222.021g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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