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114194-87-5 | 2,4(1H,3H)-Pyrimidinedione, 1-(chloromethoxymethyl)-5-fluoro-
CAS No: 114194-87-5 Catalog No: AG000ARZ MDL No:
Product Description
Catalog Number:
AG000ARZ
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-(chloromethoxymethyl)-5-fluoro-
CAS Number:
114194-87-5
Molecular Formula:
C6H6ClFN2O3
Molecular Weight:
208.5748
IUPAC Name:
1-(chloromethoxymethyl)-5-fluoropyrimidine-2,4-dione
InChI:
InChI=1S/C6H6ClFN2O3/c7-2-13-3-10-1-4(8)5(11)9-6(10)12/h1H,2-3H2,(H,9,11,12)
InChI Key:
XFLCWWGEYDNODG-UHFFFAOYSA-N
SMILES:
Fc1cn(COCCl)c(=O)[nH]c1=O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.005g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.573g/mol
Monoisotopic Mass:
208.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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