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137587-38-3 | 2,4(1H,3H)-Pyrimidinedione, 1,3-bis(2-bromoacetyl)-5-fluoro-
CAS No: 137587-38-3 Catalog No: AG0013KY MDL No:
Product Description
Catalog Number:
AG0013KY
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1,3-bis(2-bromoacetyl)-5-fluoro-
CAS Number:
137587-38-3
Molecular Formula:
C8H5Br2FN2O4
Molecular Weight:
371.9427
IUPAC Name:
1,3-bis(2-bromoacetyl)-5-fluoropyrimidine-2,4-dione
InChI:
InChI=1S/C8H5Br2FN2O4/c9-1-5(14)12-3-4(11)7(16)13(8(12)17)6(15)2-10/h3H,1-2H2
InChI Key:
AKTKBNALCJCATD-UHFFFAOYSA-N
SMILES:
BrCC(=O)n1cc(F)c(=O)n(c1=O)C(=O)CBr
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.858g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.944g/mol
Monoisotopic Mass:
369.86g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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