1H-Imidazole-5-carboxylic acid, 2-bromo-1-methyl-, methyl ester


Chemical Name: 1H-Imidazole-5-carboxylic acid, 2-bromo-1-methyl-, methyl ester
CAS Number: 120781-02-4
Product Number: AG007PLI(AGN-PC-056MVJ)
Synonyms:
MDL No: MFCD02179563
Molecular Formula: C6H7BrN2O2
Molecular Weight: 219.0360

Identification/Properties


Computed Properties
Molecular Weight:
219.038g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
217.969g/mol
Monoisotopic Mass:
217.969g/mol
Topological Polar Surface Area:
44.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
165
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

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NMR Spectrum


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