2-Pyridineacetic acid, 5-bromo-, methyl ester


Chemical Name: 2-Pyridineacetic acid, 5-bromo-, methyl ester
CAS Number: 917023-06-4
Product Number: AG00IGUH(AGN-PC-09RZS3)
Synonyms:
MDL No:
Molecular Formula: C8H8BrNO2
Molecular Weight: 230.0586

Identification/Properties


Computed Properties
Molecular Weight:
230.061g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
228.974g/mol
Monoisotopic Mass:
228.974g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
163
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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