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

2-Chloro-4-(trifluoromethyl)nicotinic acid

CAS No.:
590371-81-6
Catalog Number:
AG003GWH
Molecular Formula:
C7H3ClF3NO2
Molecular Weight:
225.5524
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$214
- +
Product Description
Catalog Number:
AG003GWH
Chemical Name:
2-Chloro-4-(trifluoromethyl)nicotinic acid
CAS Number:
590371-81-6
Molecular Formula:
C7H3ClF3NO2
Molecular Weight:
225.5524
MDL Number:
MFCD08458125
IUPAC Name:
2-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H3ClF3NO2/c8-5-4(6(13)14)3(1-2-12-5)7(9,10)11/h1-2H,(H,13,14)
InChI Key:
FZIJHEOXLKCIRZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)nccc1C(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:
2.2  
Properties