4-​bromo-​2H-​1,​2,​3-​triazole


Chemical Name: 4-​bromo-​2H-​1,​2,​3-​triazole
CAS Number: 40964-56-5
Product Number: AG003AD4(AGN-PC-0WAKI8)
Synonyms:
MDL No:
Molecular Formula: C2H2BrN3
Molecular Weight: 147.9614

Identification/Properties


Computed Properties
Molecular Weight:
147.963g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
146.943g/mol
Monoisotopic Mass:
146.943g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
48.1
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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