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102613-15-0 | 2,4(1H,3H)-Pyrimidinedione, 3-[(3-bromo-4-ethoxyphenyl)methyl]-5-fluoro-
CAS No: 102613-15-0 Catalog No: AG0007X9 MDL No:
Product Description
Catalog Number:
AG0007X9
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 3-[(3-bromo-4-ethoxyphenyl)methyl]-5-fluoro-
CAS Number:
102613-15-0
Molecular Formula:
C13H12BrFN2O3
Molecular Weight:
343.1484
IUPAC Name:
3-[(3-bromo-4-ethoxyphenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C13H12BrFN2O3/c1-2-20-11-4-3-8(5-9(11)14)7-17-12(18)10(15)6-16-13(17)19/h3-6H,2,7H2,1H3,(H,16,19)
InChI Key:
ZWBDXEYDQFNUHS-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1Br)Cn1c(=O)[nH]cc(c1=O)F
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.002g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.152g/mol
Monoisotopic Mass:
342.002g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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