1H-1,2,4-Triazole-3-carboxylic acid, 5-bromo-, ethyl ester


Chemical Name: 1H-1,2,4-Triazole-3-carboxylic acid, 5-bromo-, ethyl ester
CAS Number: 774608-89-8
Product Number: AG003QCB(AGN-PC-09MQQA)
Synonyms:
MDL No: MFCD11040185
Molecular Formula: C5H6BrN3O2
Molecular Weight: 220.0240

Identification/Properties


Properties
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
220.026g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
218.964g/mol
Monoisotopic Mass:
218.964g/mol
Topological Polar Surface Area:
67.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
155
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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