methyl 5-bromo-6-oxo-1H-pyridine-2-carboxylate


Chemical Name: methyl 5-bromo-6-oxo-1H-pyridine-2-carboxylate
CAS Number: 178876-86-3
Product Number: AG0026G0(AGN-PC-0N8BHL)
Synonyms:
MDL No:
Molecular Formula: C7H6BrNO3
Molecular Weight: 232.0314

Identification/Properties


Computed Properties
Molecular Weight:
232.033g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
230.953g/mol
Monoisotopic Mass:
230.953g/mol
Topological Polar Surface Area:
55.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
293
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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