sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 4-(Trifluoromethyl)nicotinic acid

4-(Trifluoromethyl)nicotinic acid

CAS No.:
158063-66-2
Catalog Number:
AG001PXU
Molecular Formula:
C7H4F3NO2
Molecular Weight:
191.1074
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$25
- +
5g
95%
In Stock USA
United States
$44
- +
10g
97%
In Stock USA
United States
$88
- +
25g
97%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG001PXU
Chemical Name:
4-(Trifluoromethyl)nicotinic acid
CAS Number:
158063-66-2
Molecular Formula:
C7H4F3NO2
Molecular Weight:
191.1074
MDL Number:
MFCD00082626
IUPAC Name:
4-(trifluoromethyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-2-11-3-4(5)6(12)13/h1-3H,(H,12,13)
InChI Key:
LMRJHNFECNKDKH-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnccc1C(F)(F)F
UNII:
04F679X18B
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.019g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.109g/mol
Monoisotopic Mass:
191.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
[Simultaneous determination of flonicamid and its metabolites in cucumbers and apples by liquid chromatography-tandem mass spectrometry]. Se pu = Chinese journal of chromatography 20120601
Simultaneous determination of flonicamid and its metabolites in vegetables using QuEChERS and reverse-phase liquid chromatography-tandem mass spectrometry. Journal of chromatography. A 20110923
Properties