2-Pyridinecarboxylic acid, 4-bromo-, ethyl ester


Chemical Name: 2-Pyridinecarboxylic acid, 4-bromo-, ethyl ester
CAS Number: 62150-47-4
Product Number: AG0034V7(AGN-PC-0723V9)
Synonyms:
MDL No:
Molecular Formula: C8H8BrNO2
Molecular Weight: 230.0586

Identification/Properties


Properties
MP:
43-44oC
BP:
299.3°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
230.061g/mol
XLogP3:
2.1
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


PNMR/4-Bromo-pyridine-2-carboxylic_acid_ethyl_ester-62150-47-4-HNMR.pdf

Other Analytical Data


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