3-Pyridinecarboxylic acid,1,4-dihydro-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-, methylester, (4R)-


Chemical Name: 3-Pyridinecarboxylic acid,1,4-dihydro-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-, methylester, (4R)-
CAS Number: 98791-67-4
Product Number: AG01DOSP(AGN-PC-0W8MIR)
Synonyms:
MDL No:
Molecular Formula: C16H15F3N2O4
Molecular Weight: 356.2965

Identification/Properties


Computed Properties
Molecular Weight:
356.301g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
3
Exact Mass:
356.098g/mol
Monoisotopic Mass:
356.098g/mol
Topological Polar Surface Area:
84.2A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
634
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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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