2-Pyridinecarboxylic acid, 6-(bromomethyl)-, methyl ester


Chemical Name: 2-Pyridinecarboxylic acid, 6-(bromomethyl)-, methyl ester
CAS Number: 146462-25-1
Product Number: AG001E1I(AGN-PC-03BD2K)
Synonyms:
MDL No:
Molecular Formula: C8H8BrNO2
Molecular Weight: 230.0586

Identification/Properties


Computed Properties
Molecular Weight:
230.061g/mol
XLogP3:
1.6
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#:
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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