Home Carboxys 6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid

6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid

CAS No.:
1247503-48-5
Catalog Number:
AG01AK6Q
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
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Product Description
Catalog Number:
AG01AK6Q
Chemical Name:
6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
CAS Number:
1247503-48-5
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
MDL Number:
MFCD16697752
IUPAC Name:
6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
InChI:
InChI=1S/C8H6F3NO3/c9-8(10,11)4-15-6-3-1-2-5(12-6)7(13)14/h1-3H,4H2,(H,13,14)
InChI Key:
ANLJLNWTEWVWCP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(n1)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:
2.1  
Properties