3-Pyridinecarboxylic acid, 2-bromo-6-(trifluoromethyl)-, methyl ester


Chemical Name: 3-Pyridinecarboxylic acid, 2-bromo-6-(trifluoromethyl)-, methyl ester
CAS Number: 144740-56-7
Product Number: AG001K23(AGN-PC-0046V2)
Synonyms:
MDL No:
Molecular Formula: C8H5BrF3NO2
Molecular Weight: 284.0300

Identification/Properties


Computed Properties
Molecular Weight:
284.032g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
282.946g/mol
Monoisotopic Mass:
282.946g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
247
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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