Methyl 5-Bromo-1H-1,2,3-triazole-4-carboxylate


Chemical Name: Methyl 5-Bromo-1H-1,2,3-triazole-4-carboxylate
CAS Number: 1427475-25-9
Product Number: AG003RX6(AGN-PC-0WAH2A)
Synonyms:
MDL No:
Molecular Formula: C4H4BrN3O2
Molecular Weight: 205.9975

Identification/Properties


Properties
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
205.999g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
204.949g/mol
Monoisotopic Mass:
204.949g/mol
Topological Polar Surface Area:
67.9A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
143
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
Precautionary Statements:
P264-P270-P301+P312-P330
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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