3-Pyridinecarboxylic acid, 5-bromo-1,6-dihydro-6-oxo-, methyl ester


Chemical Name: 3-Pyridinecarboxylic acid, 5-bromo-1,6-dihydro-6-oxo-, methyl ester
CAS Number: 381247-99-0
Product Number: AG00BZH4(AGN-PC-0KKQ5E)
Synonyms:
MDL No:
Molecular Formula: C7H6BrNO3
Molecular Weight: 232.0314

Identification/Properties


Computed Properties
Molecular Weight:
232.033g/mol
XLogP3:
0.7
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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