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15114-43-9 | 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dibromo-
CAS No: 15114-43-9 Catalog No: AG001N4W MDL No:MFCD00463941
Product Description
Catalog Number:
AG001N4W
Chemical Name:
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dibromo-
CAS Number:
15114-43-9
Molecular Formula:
C3HBr2N3O3
Molecular Weight:
286.8663
MDL Number:
MFCD00463941
IUPAC Name:
1,3-dibromo-1,3,5-triazinane-2,4,6-trione
InChI:
InChI=1S/C3HBr2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)
InChI Key:
HHBCEKAWSILOOP-UHFFFAOYSA-N
SMILES:
O=c1n(Br)c(=O)[nH]c(=O)n1Br
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.836g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.867g/mol
Monoisotopic Mass:
284.838g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Core-tetrasubstituted naphthalene diimides: synthesis, optical properties, and redox characteristics. | The Journal of organic chemistry 20071012 |
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