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Home > Fluorides > 142237-28-3
142237-28-3 | [1(2H),5'-Bipyrimidine]-2,2',4,4'(1'H,3H,3'H)-tetrone, 5,5'-difluoro-5',6'-dihydro-6'-hydroxy-
CAS No: 142237-28-3 Catalog No: AG001I0R MDL No:
Product Description
Catalog Number:
AG001I0R
Chemical Name:
[1(2H),5'-Bipyrimidine]-2,2',4,4'(1'H,3H,3'H)-tetrone, 5,5'-difluoro-5',6'-dihydro-6'-hydroxy-
CAS Number:
142237-28-3
Molecular Formula:
C8H6F2N4O5
Molecular Weight:
276.1538
IUPAC Name:
5-fluoro-1-(5-fluoro-4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)pyrimidine-2,4-dione
InChI:
InChI=1S/C8H6F2N4O5/c9-2-1-14(7(19)11-3(2)15)8(10)4(16)12-6(18)13-5(8)17/h1,4,16H,(H,11,15,19)(H2,12,13,17,18)
InChI Key:
NLAFMRFXDRRFSK-UHFFFAOYSA-N
SMILES:
O=C1NC(O)C(C(=O)N1)(F)n1cc(F)c(=O)[nH]c1=O
NSC Number:
664145
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.031g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
276.156g/mol
Monoisotopic Mass:
276.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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