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85093-36-3 | 5-FLUORO-1-(4-HYDROXY-3-NITROBENZYL)URACIL
CAS No: 85093-36-3 Catalog No: AG004OJR MDL No:
Product Description
Catalog Number:
AG004OJR
Chemical Name:
5-FLUORO-1-(4-HYDROXY-3-NITROBENZYL)URACIL
CAS Number:
85093-36-3
Molecular Formula:
C11H8FN3O5
Molecular Weight:
281.1967
IUPAC Name:
5-fluoro-1-[(4-hydroxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione
InChI:
InChI=1S/C11H8FN3O5/c12-7-5-14(11(18)13-10(7)17)4-6-1-2-9(16)8(3-6)15(19)20/h1-3,5,16H,4H2,(H,13,17,18)
InChI Key:
PUPUYXSTDJWALU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1O)Cn1cc(F)c(=O)[nH]c1=O
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.045g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.199g/mol
Monoisotopic Mass:
281.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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