3-Pyridinecarboxylic acid, 5-bromo-2-methoxy-


Chemical Name: 3-Pyridinecarboxylic acid, 5-bromo-2-methoxy-
CAS Number: 54916-66-4
Product Number: AG003MHJ(AGN-PC-0017H9)
Synonyms:
MDL No: MFCD06656771
Molecular Formula: C7H6BrNO3
Molecular Weight: 232.0314

Identification/Properties


Properties
MP:
156-158
BP:
324.8°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
232.033g/mol
XLogP3:
1.4
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


NMR Spectrum


Other Analytical Data


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