3-Pyridinecarboxylic acid, 5-bromo-, ethyl ester


Chemical Name: 3-Pyridinecarboxylic acid, 5-bromo-, ethyl ester
CAS Number: 20986-40-7
Product Number: AG002KGN(AGN-PC-0JMRKE)
Synonyms:
MDL No: MFCD00040366
Molecular Formula: C8H8BrNO2
Molecular Weight: 230.0586

Identification/Properties


Properties
MP:
39-42 °C
BP:
258.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
230.061g/mol
XLogP3:
2
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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