(2S)-2-bromo-3-(1H-imidazol-5-yl)propanoic acid


Chemical Name: (2S)-2-bromo-3-(1H-imidazol-5-yl)propanoic acid
CAS Number: 35319-96-1
Product Number: AG00C7W1(AGN-PC-03X1DO)
Synonyms:
MDL No: MFCD00057168
Molecular Formula: C6H7BrN2O2
Molecular Weight: 219.03598

Identification/Properties


Computed Properties
Molecular Weight:
219.038g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
217.969g/mol
Monoisotopic Mass:
217.969g/mol
Topological Polar Surface Area:
66A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
154
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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