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Home Other Building Blocks 2-(Trifluoromethyl)nicotinic acid

2-(Trifluoromethyl)nicotinic acid

CAS No.:
131747-43-8
Catalog Number:
AG000ZN9
Molecular Formula:
C7H4F3NO2
Molecular Weight:
191.1074
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
5g
97%
In Stock USA
United States
$50
- +
10g
97%
In Stock USA
United States
$81
- +
25g
97%
In Stock USA
United States
$169
- +
100g
97%
In Stock USA
United States
$556
- +
Product Description
Catalog Number:
AG000ZN9
Chemical Name:
2-(Trifluoromethyl)nicotinic acid
CAS Number:
131747-43-8
Molecular Formula:
C7H4F3NO2
Molecular Weight:
191.1074
MDL Number:
MFCD01862052
IUPAC Name:
2-(trifluoromethyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H4F3NO2/c8-7(9,10)5-4(6(12)13)2-1-3-11-5/h1-3H,(H,12,13)
InChI Key:
BFROETNLEIAWNO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccnc1C(F)(F)F
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
Efficient synthesis of 2-(trifluoromethyl)nicotinic acid derivatives from simple fluorinated precursors. Organic letters 20080501
Properties