Home Carboxys 2,6-bis(trifluoromethyl)pyridine-3-carboxylic acid

2,6-bis(trifluoromethyl)pyridine-3-carboxylic acid

CAS No.:
116383-72-3
Catalog Number:
AG01EKKV
Molecular Formula:
C8H3F6NO2
Molecular Weight:
259.1053
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Product Description
Catalog Number:
AG01EKKV
Chemical Name:
2,6-bis(trifluoromethyl)pyridine-3-carboxylic acid
CAS Number:
116383-72-3
Molecular Formula:
C8H3F6NO2
Molecular Weight:
259.1053
MDL Number:
MFCD18254791
IUPAC Name:
2,6-bis(trifluoromethyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H3F6NO2/c9-7(10,11)4-2-1-3(6(16)17)5(15-4)8(12,13)14/h1-2H,(H,16,17)
InChI Key:
VHDLZWKUPOEICN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(nc1C(F)(F)F)C(F)(F)F
Properties
Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.007g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.107g/mol
Monoisotopic Mass:
259.007g/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