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Home > Fluorides > 113887-56-2
113887-56-2 | 2,4(1H,3H)-Pyrimidinedione, 1-[(2-azidoethoxy)methyl]-5-fluoro-
CAS No: 113887-56-2 Catalog No: AG0009ZE MDL No:
Product Description
Catalog Number:
AG0009ZE
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-[(2-azidoethoxy)methyl]-5-fluoro-
CAS Number:
113887-56-2
Molecular Formula:
C7H8FN5O3
Molecular Weight:
229.1685
IUPAC Name:
1-(2-azidoethoxymethyl)-5-fluoropyrimidine-2,4-dione
InChI:
InChI=1S/C7H8FN5O3/c8-5-3-13(7(15)11-6(5)14)4-16-2-1-10-12-9/h3H,1-2,4H2,(H,11,14,15)
InChI Key:
LWDYDTCPWNPSNZ-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCCOCn1cc(F)c(=O)[nH]c1=O
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.171g/mol
Monoisotopic Mass:
229.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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