3-Pyridinecarboxylic acid, 4-(trifluoromethyl)-


Chemical Name: 3-Pyridinecarboxylic acid, 4-(trifluoromethyl)-
CAS Number: 158063-66-2
Product Number: AG001PXU(AGN-PC-0KKYB5)
Synonyms:
MDL No: MFCD00082626
Molecular Formula: C7H4F3NO2
Molecular Weight: 191.1074

Identification/Properties


Properties
MP:
146-148 °C(lit.)
BP:
290.4°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
191.109g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
191.019g/mol
Monoisotopic Mass:
191.019g/mol
Topological Polar Surface Area:
50.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
204
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


PNMR/4-trifluoromethylnicotinic_acid-158063-66-2-hnmr.pdf

Other Analytical Data


POTHER/4-trifluoromethylnicotinic_acid-158063-66-2-hplc.pdf

Request for Quotation


Customer Feedback