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


Chemical Name: 3-Pyridinecarboxylic acid, 5-bromo-1,6-dihydro-6-oxo-
CAS Number: 41668-13-7
Product Number: AG0071FI(AGN-PC-0KKQ5D)
Synonyms:
MDL No: MFCD08235173
Molecular Formula: C6H4BrNO3
Molecular Weight: 218.0049

Identification/Properties


Computed Properties
Molecular Weight:
218.006g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
216.937g/mol
Monoisotopic Mass:
216.937g/mol
Topological Polar Surface Area:
66.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
280
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

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NMR Spectrum


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