1,2,4-Triazine-3,5(2H,4H)-dione, 6-bromo-


Chemical Name: 1,2,4-Triazine-3,5(2H,4H)-dione, 6-bromo-
CAS Number: 4956-05-2
Product Number: AG003N3H(AGN-PC-0JPI9L)
Synonyms:
MDL No:
Molecular Formula: C3H2BrN3O2
Molecular Weight: 191.9709

Identification/Properties


Properties
MP:
231 - 234 °C
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
191.972g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
190.933g/mol
Monoisotopic Mass:
190.933g/mol
Topological Polar Surface Area:
70.6A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
199
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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