ethyl 2-bromo-5-(trifluoromethyl)-1H-imidazole-4-carboxylate


Chemical Name: ethyl 2-bromo-5-(trifluoromethyl)-1H-imidazole-4-carboxylate
CAS Number: 444326-49-2
Product Number: AG00I8FE(AGN-00I89U)
Synonyms:
MDL No:
Molecular Formula: C7H6BrF3N2O2
Molecular Weight: 287.0339

Identification/Properties


Computed Properties
Molecular Weight:
287.036g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
285.956g/mol
Monoisotopic Mass:
285.956g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
249
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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