1H-1,2,4-Triazole, 5-bromo-1-methyl-


Chemical Name: 1H-1,2,4-Triazole, 5-bromo-1-methyl-
CAS Number: 16681-72-4
Product Number: AG00AKA2(AGN-PC-03GNH3)
Synonyms:
MDL No: MFCD11109756
Molecular Formula: C3H4BrN3
Molecular Weight: 161.9880

Identification/Properties


Properties
BP:
256℃
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
161.99g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
160.959g/mol
Monoisotopic Mass:
160.959g/mol
Topological Polar Surface Area:
30.7A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
67.2
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


NMR Spectrum


Other Analytical Data


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