2-Pyridinecarboxylic acid, 6-bromo-5-hydroxy-, methyl ester


Chemical Name: 2-Pyridinecarboxylic acid, 6-bromo-5-hydroxy-, methyl ester
CAS Number: 170235-19-5
Product Number: AG003RYD(AGN-PC-00OPNY)
Synonyms:
MDL No:
Molecular Formula: C7H6BrNO3
Molecular Weight: 232.0314

Identification/Properties


Properties
BP:
411°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
232.033g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
230.953g/mol
Monoisotopic Mass:
230.953g/mol
Topological Polar Surface Area:
59.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
176
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:
H302-H315-H319
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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