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82023-29-8 | 3-(1,3-Dihydro-3-oxo-1-isobenzofuranyl)-5-fluoro-2,4(1H,3H)-pyrimidinedione
CAS No: 82023-29-8 Catalog No: AG005D9Q MDL No:
Product Description
Catalog Number:
AG005D9Q
Chemical Name:
3-(1,3-Dihydro-3-oxo-1-isobenzofuranyl)-5-fluoro-2,4(1H,3H)-pyrimidinedione
CAS Number:
82023-29-8
Molecular Formula:
C12H7FN2O4
Molecular Weight:
262.1934
IUPAC Name:
5-fluoro-3-(3-oxo-1H-2-benzofuran-1-yl)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C12H7FN2O4/c13-8-5-14-12(18)15(9(8)16)10-6-3-1-2-4-7(6)11(17)19-10/h1-5,10H,(H,14,18)
InChI Key:
LHEJDBBHZGISGW-UHFFFAOYSA-N
SMILES:
O=C1OC(c2c1cccc2)n1c(=O)[nH]cc(c1=O)F
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.039g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.196g/mol
Monoisotopic Mass:
262.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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