Home Other Building Blocks 4-Chloro-2-(trifluoromethyl)nicotinic acid

4-Chloro-2-(trifluoromethyl)nicotinic acid

CAS No.:
1018678-39-1
Catalog Number:
AG0005S4
Molecular Formula:
C7H3ClF3NO2
Molecular Weight:
225.5524
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$535
- +
Product Description
Catalog Number:
AG0005S4
Chemical Name:
4-Chloro-2-(trifluoromethyl)nicotinic acid
CAS Number:
1018678-39-1
Molecular Formula:
C7H3ClF3NO2
Molecular Weight:
225.5524
MDL Number:
MFCD22546902
IUPAC Name:
4-chloro-2-(trifluoromethyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H3ClF3NO2/c8-3-1-2-12-5(7(9,10)11)4(3)6(13)14/h1-2H,(H,13,14)
InChI Key:
LORVMHLMFSWALD-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)ccnc1C(F)(F)F
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.98g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.551g/mol
Monoisotopic Mass:
224.98g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties