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116097-53-1 | Carbonic acid, (5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl phenylmethyl ester
CAS No: 116097-53-1 Catalog No: AG000BN1 MDL No:
Product Description
Catalog Number:
AG000BN1
Chemical Name:
Carbonic acid, (5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl phenylmethyl ester
CAS Number:
116097-53-1
Molecular Formula:
C13H11FN2O5
Molecular Weight:
294.2352
IUPAC Name:
[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-1-phenylethyl] carbonate
InChI:
InChI=1S/C13H11FN2O5/c14-9-6-16(12(18)15-11(9)17)7-10(21-13(19)20)8-4-2-1-3-5-8/h1-6,10H,7H2,(H,19,20)(H,15,17,18)/p-1
InChI Key:
BFGUJAJKFXSFCH-UHFFFAOYSA-M
SMILES:
O=C(OCc1ccccc1)OCn1cc(F)c(=O)[nH]c1=O
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.057g/mol
Formal Charge:
-1
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.23g/mol
Monoisotopic Mass:
293.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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