Home Carboxys 2,4,6-trifluoropyridine-3-carboxylic acid

2,4,6-trifluoropyridine-3-carboxylic acid

CAS No.:
3512-14-9
Catalog Number:
AG01BG2D
Molecular Formula:
C6H2F3NO2
Molecular Weight:
177.0808
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Product Description
Catalog Number:
AG01BG2D
Chemical Name:
2,4,6-trifluoropyridine-3-carboxylic acid
CAS Number:
3512-14-9
Molecular Formula:
C6H2F3NO2
Molecular Weight:
177.0808
MDL Number:
MFCD18382775
IUPAC Name:
2,4,6-trifluoropyridine-3-carboxylic acid
InChI:
InChI=1S/C6H2F3NO2/c7-2-1-3(8)10-5(9)4(2)6(11)12/h1H,(H,11,12)
InChI Key:
JRQKEZPTKZOROJ-UHFFFAOYSA-N
SMILES:
Fc1cc(F)c(c(n1)F)C(=O)O
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.004g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.082g/mol
Monoisotopic Mass:
177.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties