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


Chemical Name: 2-Pyridinecarboxylic acid, 5-bromo-, methyl ester
CAS Number: 29682-15-3
Product Number: AG002Z34(AGN-PC-0LW74U)
Synonyms:
MDL No: MFCD04112493
Molecular Formula: C7H6BrNO2
Molecular Weight: 216.0320

Identification/Properties


Properties
MP:
96 - 97 °C
BP:
290.9°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
216.034g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
214.958g/mol
Monoisotopic Mass:
214.958g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
151
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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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