methyl 2-(4-bromopyrazol-1-yl)acetate


Chemical Name: methyl 2-(4-bromopyrazol-1-yl)acetate
CAS Number: 1072944-71-8
Product Number: AG008527(AGN-PC-0589TO)
Synonyms:
MDL No:
Molecular Formula: C6H7BrN2O2
Molecular Weight: 219.0360

Identification/Properties


Computed Properties
Molecular Weight:
219.038g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
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:
154
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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