4-bromo-1,5-dimethyl-1H-1,2,3-triazole


Chemical Name: 4-bromo-1,5-dimethyl-1H-1,2,3-triazole
CAS Number: 885877-41-8
Product Number: AG004BNO(AGN-PC-0WAIXU)
Synonyms:
MDL No:
Molecular Formula: C4H6BrN3
Molecular Weight: 176.0145

Identification/Properties


Properties
BP:
244°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Computed Properties
Molecular Weight:
176.017g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
174.975g/mol
Monoisotopic Mass:
174.975g/mol
Topological Polar Surface Area:
30.7A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
87.4
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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