Home Carboxys 4-Pyridinecarboxylic acid, 2-(2,2,2-trifluoroethoxy)-

4-Pyridinecarboxylic acid, 2-(2,2,2-trifluoroethoxy)-

CAS No.:
262296-01-5
Catalog Number:
AG002SD8
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
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Product Description
Catalog Number:
AG002SD8
Chemical Name:
4-Pyridinecarboxylic acid, 2-(2,2,2-trifluoroethoxy)-
CAS Number:
262296-01-5
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
MDL Number:
MFCD03411683
IUPAC Name:
2-(2,2,2-trifluoroethoxy)pyridine-4-carboxylic acid
InChI:
InChI=1S/C8H6F3NO3/c9-8(10,11)4-15-6-3-5(7(13)14)1-2-12-6/h1-3H,4H2,(H,13,14)
InChI Key:
HHIMRBSDYARGRE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(c1)OCC(F)(F)F
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.135g/mol
Monoisotopic Mass:
221.03g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties